SCHEMBL3078147

SCHEMBL3078147

c1ccc(CSCCSCc2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.64
CYP1A2 P05177 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 1/20 0.52
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
HTT P42858 1/20 0.50
IDO1 P14902 3/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
MAOB P27338 1/20 0.46
CALM1 P0DP23 1/20 0.45
GBA1 P04062 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7909121 0.89 CYP2C19 (0.59) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL6306047 0.89 CYP2C19 (0.59) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL12349708 0.88 CYP2C19 (0.53) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL23119178 0.88 CYP2C19 (0.53) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL206 0.88 CYP2C19 (0.56) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL28965534 0.87 CYP2C19 (0.57) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL6168609 0.87 CYP2C19 (0.57) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL28731515 0.86 ALDH1A1 (0.65) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL28724346 0.86 CYP2C19 (0.52) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL28724345 0.86 ALDH1A1 (0.58) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 US disclosed
US-7291217-B2 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON (US) 2007-11-06 US disclosed
US-20070149673-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE STURGILL JEFFREY A 2007-06-28 US disclosed
US-7235142-B2 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON (US) 2007-06-26 US disclosed
WO-2005062811-A2 CATALYTIC SULFOXIDE-PROMOTED C-H OXIDATION, AND REGIOSELECTIVE PREPARATION OF ALLYLIC CARBOXYLATES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-07-14 WO disclosed
US-5436214-A Polymerization process SHELL OIL COMPANY (US) 1995-07-25 US disclosed
US-5369075-A Polymerization process SHELL OIL COMPANY (US) 1994-11-29 US disclosed
US-5245123-A VAPOR PHASE POLYMERIZATION OF CO/OLEFIN WITH PALLADIUM COMPOUND, LEWIS ACID AND BIDENTATE LIGAND SHELL OIL COMPANY (US) 1993-09-14 US disclosed
US-5227464-A GAS PHASE POLYMERIZATION OF CO/OLEFIN WITH PARTICULAR CATALYST SUPPORT SHELL OIL COMPANY (US) 1993-07-13 US disclosed
US-5216120-A POLYMERIZATION OF CO/OLEFIN WITH CATALYST COMPRISING PALLADIUM COMPOUND, LEWIS ACID AND BRONSTED ACID SHELL OIL COMPANY (US) 1993-06-01 US disclosed
EP-0516239-A1 Process for the preparation of linear polymers of carbon monoxide with one or more olefinically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-12-02 EP disclosed
EP-0460743-A2 Preparation of polymers of carbon monoxide with olefinically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-12-11 EP disclosed
US-5059678-A POLYMERIZATION OF OLEFIN/CARBON MONOXIDE WITH PALLADIUM SALT, BIDENTATE LIGAND AND CARBOXYLIC ACID ESTER OR ANHYDRIDE SHELL OIL COMPANY (US) 1991-10-22 US disclosed
EP-0440997-A2 Process for the preparation of polyketone polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-08-14 EP disclosed
US-5021547-A Efficient production of uniform carbon monoxide-olefin co-and terpolymers SHELL OIL COMPANY (US) 1991-06-04 US disclosed