SCHEMBL8709294

SCHEMBL8709294

C=CC(OC(O)CCCCCCCCC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.43
ALDH1A1 P00352 4/20 0.40
NAAA Q02083 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ASAH1 Q13510 2/20 0.38
ACER2 Q5QJU3 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CASR P41180 1/20 0.35
HTR2A P28223 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL6811502 0.99 CSNK1E (0.41) CSNK1EALDH1A1NAAANPC1RAB9A
SCHEMBL20534805 0.88 CSNK1E (0.39) CSNK1EALDH1A1NAAANPC1RAB9A
SCHEMBL20534622 0.87 CSNK1E (0.37) CSNK1EALDH1A1NAAANPC1RAB9A
SCHEMBL8709148 0.83 ALDH1A1 (0.37) CSNK1EALDH1A1NAAANPC1RAB9A
SCHEMBL6811529 0.81 ALDH1A1 (0.35) CSNK1EALDH1A1NAAANPC1RAB9A
SCHEMBL8707831 0.81 ALDH1A1 (0.35) CSNK1EALDH1A1NAAANPC1RAB9A
SCHEMBL6540703 0.78 ALDH1A1 (0.40) ALDH1A1KDM4ECASRHTR2A
SCHEMBL6541581 0.76 NPC1 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6678195 0.76 NPC1 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6541323 0.76 NPC1 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA

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
US-5731395-A POLYMER CONTAINING DIVINYLBENZENE AND STYRENE COMPOUND ARAKAWA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-24 US disclosed