SCHEMBL3071002

SCHEMBL3071002

O=C(CC(S)C1CCCCC1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6726513 1.00 EPHX1 (0.41) EPHX1CES2CES1ALDH1A1HDAC8
SCHEMBL6728666 0.78 ALDH1A1 (0.44) ALDH1A1TSHRLMNA
SCHEMBL6735797 0.78 ALDH1A1 (0.44) ALDH1A1TSHRLMNA
SCHEMBL6726326 0.78 CA2 (0.30)
SCHEMBL27545268 0.78 EPHX1 (0.42) EPHX1ALDH1A1TP53CYP2C19KDM4E
SCHEMBL3078066 0.78 TP53 (0.48) EPHX1CES2CES1ALDH1A1HDAC8
SCHEMBL10794617 0.77 CES2 (0.44) EPHX1CES2CES1ALDH1A1HDAC8
SCHEMBL3068896 0.76 MGLL (0.35) EPHX1CES2CES1ALDH1A1TP53
SCHEMBL6731045 0.73 SMN1; SMN2 (0.38) EPHX1CES2CES1ALDH1A1HDAC8
SCHEMBL6726381 0.73 EPHX1 (0.38) EPHX1ALDH1A1HDAC6CYP2C19LMNA

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 16 patents. 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
US-20040224251-A1 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-11 US disclosed
US-20040104377-A1 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON 2004-06-03 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed