SCHEMBL13129653

SCHEMBL13129653

Cc1cc(SCCc2ccccc2)c2ccc3c(C)cc(SCCc4ccccc4)c4ccc1c2c34

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
MCHR1 Q99705 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 2/20 0.36
ABCB1 P08183 2/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13129666 1.00 PTGS2 (0.44) PTGS2MAPTSMN1; SMN2MCHR1CYP1A2
SCHEMBL13129669 0.79 PTGS2 (0.37) PTGS2MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL12301179 0.74 MCHR1 (0.64) PTGS2MAPTSMN1; SMN2MCHR1CYP1A2
SCHEMBL13129673 0.73 MAPT (0.39) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13129651 0.71 ALDH1A1 (0.33) PTGS2
SCHEMBL9786572 0.71 POLB (0.53) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL13129672 0.70 RAB9A (0.50) MAOAMEN1KMT2ARAB9ANPC1
SCHEMBL13129656 0.70 RAB9A (0.50) MAOAMEN1KMT2ARAB9ANPC1
SCHEMBL12666411 0.68 ALDH1A1 (0.46) PTGS2MAPTSMN1; SMN2MCHR1CYP1A2
SCHEMBL28965088 0.67 MCHR1 (0.58) PTGS2SMN1; SMN2MCHR1MAOAMAOB

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