SCHEMBL13129669

SCHEMBL13129669

CCCSc1cc(C)c2ccc3c(C)cc(SCCC)c4ccc1c2c34

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 2/20 0.31
PDE5A O76074 2/20 0.31
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL13129649 0.87 PTGS2 (0.36) PTGS2ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL13129681 0.86 ALDH1A1 (0.33) PTGS2ALDH1A1
SCHEMBL13129651 0.86 ALDH1A1 (0.33) PTGS2ALDH1A1
SCHEMBL13129670 0.81 ALDH1A1 (0.32) PTGS2ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL13129653 0.79 PTGS2 (0.44) PTGS2L3MBTL1CYP3A4CYP1A2CYP2D6
SCHEMBL13129666 0.79 PTGS2 (0.44) PTGS2L3MBTL1CYP3A4CYP1A2CYP2D6
SCHEMBL9786583 0.76 PTGS2 (0.45) PTGS2ALDH1A1KDM4EL3MBTL1CYP3A4
SCHEMBL13129677 0.74 PTGS2 (0.35) PTGS2ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL13129648 0.74 PTGS2 (0.35) PTGS2ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL9786657 0.73 PTGS2 (0.46) PTGS2

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 3 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
EP-2208745-A1 POLYMER COMPOUND, METHOD FOR PRODUCING THE SAME, AND COMPOSITION CONTAINING THE POLYMER COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-07-21 EP disclosed