SCHEMBL6811529

SCHEMBL6811529

C=CC(OC(Br)CCCCC)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRL1 P41146 2/20 0.33
HTR2A P28223 2/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
CSNK1E P49674 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAAA Q02083 2/20 0.32
POLB P06746 1/20 0.32
CNR2 P34972 1/20 0.32
CASR P41180 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL8709148 0.99 ALDH1A1 (0.37) ALDH1A1SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL8711760 0.89 AOC3 (0.35) ALDH1A1SIGMAR1HTR2ALMNACASR
SCHEMBL20534622 0.85 CSNK1E (0.37) ALDH1A1SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL20534805 0.84 CSNK1E (0.39) ALDH1A1SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL6811502 0.82 CSNK1E (0.41) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL8707831 0.82 ALDH1A1 (0.35) ALDH1A1SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL8709294 0.81 CSNK1E (0.43) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6540703 0.79 ALDH1A1 (0.40) ALDH1A1HTR2APOLBCASRHRH1
SCHEMBL27823090 0.75 LTA4H (0.41) HTR2ANPC1LMNARAB9ASMN1; SMN2
SCHEMBL8711134 0.74 TAAR1 (0.34) ALDH1A1LMNACASR

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
EP-0764667-B1 FUNCTION-CONTAINING POROUS RESIN AND PROCESS FOR THE PRODUCTION THEREOF ARAKAWA CHEM IND (JP) 2004-12-08 EP disclosed
US-5731395-A POLYMER CONTAINING DIVINYLBENZENE AND STYRENE COMPOUND ARAKAWA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-24 US disclosed
EP-0764667-A1 FUNCTION-CONTAINING POROUS RESIN AND PROCESS FOR THE PRODUCTION THEREOF ARAKAWA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-26 EP disclosed