SCHEMBL13142187

SCHEMBL13142187

CCC(C)Oc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C(C)(C)CC)cc4)cc3)c(-c3ccccc3)c2)cc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.40
▸ PTGS2 P35354 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ HTT P42858 1/20 0.34
▸ MCL1 Q07820 3/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ ABCC1 P33527 1/20 0.33

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
SCHEMBL12927419 0.87 SMN1; SMN2 (0.40) CASP1PTGS2NPC1RAB9APOLB
SCHEMBL10066691 0.85 PTGS2 (0.39) CASP1PTGS2POLBSMN1; SMN2HTT
SCHEMBL2754676 0.79 HTT (0.39) PTGS2SMN1; SMN2HTTMCL1PTGDR2
SCHEMBL14364642 0.79 PTGS2 (0.40) PTGS2SMN1; SMN2HTTMCL1PTGDR2
SCHEMBL13064140 0.79 NPC1 (0.47) CASP1PTGS2NPC1RAB9APOLB
SCHEMBL10228504 0.78 CNR2 (0.36) PTGS2CYP2C9MAPTSMN1; SMN2HTT
SCHEMBL12906864 0.77 DHODH (0.37) MAPTPTGDR2DHODHPPARGPPARD
SCHEMBL13668496 0.77 SMN1; SMN2 (0.46) PTGS2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL857384 0.76 NPC1 (0.43) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL13266193 0.76 HTT (0.43) CASP1PTGS2CYP2C9SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1862489-B1 Block Copolymer and Use Thereof SUMITOMO CHEMICAL CO (JP) 2010-10-06 — — EP disclosed
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