SCHEMBL4256995

SCHEMBL4256995

O[C@@H](CCc1ccccc1)CCC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.53
LTB4R2 Q9NPC1 2/20 0.53
PTGER2 P43116 2/20 0.47
PTGER1 P34995 1/20 0.47
PTGFR P43088 1/20 0.47
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
SLC18A3 Q16572 1/20 0.43
EPHX2 P34913 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC18A2 Q05940 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
SLCO2A1 Q92959 1/20 0.42

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
SCHEMBL31354792 0.98 LTB4R (0.52) LTB4RLTB4R2PTGER2PTGER1PTGFR
SCHEMBL4799370 0.80 MMP2 (0.55)
SCHEMBL5446010 0.78 PTGER1 (0.43) LTB4RLTB4R2PTGER2PTGER1PTGFR
SCHEMBL22350147 0.78 PTGER1 (0.49) LTB4RLTB4R2PTGER2PTGER1PTGFR
SCHEMBL22350151 0.78 PTGER1 (0.49) LTB4RLTB4R2PTGER2PTGER1PTGFR
SCHEMBL705394 0.78 CTSS (0.56) OPRM1OPRD1OPRK1SLC18A2CTSS
SCHEMBL4256993 0.77 MMP12 (0.47) PTGER2PTGER1PTGFR
SCHEMBL27516839 0.77 PTGER1 (0.48) LTB4RLTB4R2PTGER2PTGER1PTGFR
SCHEMBL60979 0.76 CTSS (0.54) EPHX2OPRM1OPRD1OPRK1SLC18A2
SCHEMBL15655712 0.76 LTB4R (0.46) LTB4RLTB4R2PTGER2PTGER1PTGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666751-A1 METHOD FOR PREPARING LATANOPROSTENE BUNOD, AND INTERMEDIATE THEREFOR Yonsung Fine Chemical Co., Ltd. (KR) 2020-06-17 EP disclosed
US-20090035279-A1 GENETIC VARIANTS ON CHR 15Q24 AS MARKERS FOR USE IN DIAGNOSIS, PROGNOSIS AND TREATMENT OF EXFOLIATION SYNDROME AND GLAUCOMA DECODE GENETICS EFH (IS) 2009-02-05 US disclosed