SCHEMBL3079515

SCHEMBL3079515

C=CCCCc1cc[c]cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.38
HDAC4 P56524 1/20 0.38
ALDH1A1 P00352 4/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TLR8 Q9NR97 1/20 0.33
TSHR P16473 2/20 0.32
THRA P10827 2/20 0.31
THRB P10828 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1783686 0.94 TDP1 (0.42) HDAC1HDAC4ALDH1A1USP2HPGD
SCHEMBL1004080 0.86 ALDH1A1 (0.33) ALDH1A1
SCHEMBL29819537 0.84 HDAC1 (0.43) HDAC1HDAC4ALDH1A1USP2HPGD
SCHEMBL27590705 0.78
SCHEMBL11803736 0.78 MAOA (0.40) ALDH1A1L3MBTL1
SCHEMBL106849 0.77 SIGMAR1 (0.48) HDAC1HDAC4ALDH1A1HPGD
SCHEMBL11328438 0.77 TDP1 (0.48) HDAC1HDAC4ALDH1A1USP2HPGD
SCHEMBL1521949 0.76 HDAC1 (0.41) HDAC1HDAC4ALDH1A1USP2HPGD
SCHEMBL11690401 0.76 SIGMAR1 (0.41) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL10647609 0.76 SIGMAR1 (0.46) HDAC1HDAC4ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105384694-B Substituted aminopyrimidine derivative and preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2020-09-04 CN disclosed
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-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
CN-1114602-C Ketone derivatives and medicinal use thereof TORAY INDUSTRIES (JP) 2003-07-16 CN disclosed
CN-1070487-C Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2001-09-05 CN disclosed
CN-1242771-A Ketone derivatives and medicinal use thereof TORAY INDUSTRIES (JP) 2000-01-26 CN disclosed
US-5238602-A Electrooptical cells HOFFMANN LA ROCHE INC. (US) 1993-08-24 US disclosed
US-4709030-A 4-ALKENYL OR 2Z-ALKENYL POLYPHENYL COMPOUNDS; ELECTRO-OPTICS HOFFMANN-LA ROCHE INC. (US) 1987-11-24 US disclosed
US-4621901-A ELECTROOPTICS HOFFMANN-LA ROCHE INC. (US) 1986-11-11 US disclosed