SCHEMBL13129677

SCHEMBL13129677

CCCSc1cc2ccc3cc(SCCC)c(C)c4ccc(c1C)c2c34

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
HPGD P15428 3/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 2/20 0.33
TLR8 Q9NR97 1/20 0.33
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL13129648 1.00 PTGS2 (0.35) PTGS2HPGDALDH1A1L3MBTL1KDM4E
SCHEMBL13129670 0.74 ALDH1A1 (0.32) PTGS2HPGDALDH1A1L3MBTL1KDM4E
SCHEMBL13129669 0.74 PTGS2 (0.37) PTGS2HPGDALDH1A1L3MBTL1KDM4E
SCHEMBL13129649 0.73 PTGS2 (0.36) PTGS2HPGDALDH1A1L3MBTL1KDM4E
SCHEMBL20678368 0.68 PTGS2 (0.41) PTGS2CYP3A4CYP1A2TLR8CYP2D6
SCHEMBL12627681 0.67 TLR8 (0.48) PTGS2HPGDALDH1A1L3MBTL1KDM4E
SCHEMBL10909753 0.67 PTGS2 (0.37) PTGS2HPGDALDH1A1KDM4ETLR8
SCHEMBL16279674 0.66 PTGS2 (0.39) PTGS2HPGDALDH1A1KDM4ECYP1A2
SCHEMBL21102991 0.66 L3MBTL1 (0.43) PTGS2HPGDALDH1A1L3MBTL1KDM4E
SCHEMBL26247942 0.66 ALDH1A1 (0.44) PTGS2HPGDALDH1A1L3MBTL1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249319-A1 POLYMER COMPOUND, METHOD FOR PRODUCING THE SAME, AND COMPOSITION CONTAINING THE POLYMER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 US disclosed
US-20100249319-A1 POLYMER COMPOUND, METHOD FOR PRODUCING THE SAME, AND COMPOSITION CONTAINING THE POLYMER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 US disclosed