SCHEMBL18832661

SCHEMBL18832661

CCOc1ccc(C(=O)NC2(OC(=O)O)Cc3ccccc3C2)cc1OCCc1cccc(C)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.60
▸ POLB P06746 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ CXCR5 P32302 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL18832654 0.92 LPAR1 (0.63) LPAR1
SCHEMBL18832675 0.90 LPAR1 (0.61) LPAR1
SCHEMBL18832662 0.88 LPAR1 (0.60) LPAR1LMNAMAPTSMN1; SMN2HTT
SCHEMBL1560224 0.88 LPAR1 (0.77) LPAR1POLBCASP6LMNANPSR1
SCHEMBL18832657 0.87 LPAR1 (0.79) LPAR1MAPT
SCHEMBL18832658 0.86 LPAR1 (0.58) LPAR1ALDH1A1
SCHEMBL18832664 0.86 LPAR1 (0.58) LPAR1LMNAMAPTSMN1; SMN2
SCHEMBL18832678 0.86 LPAR1 (0.63) LPAR1LMNAMAPTALDH1A1
SCHEMBL18832674 0.85 LPAR1 (0.60) LPAR1LMNAMAPTALDH1A1
SCHEMBL18832660 0.84 LPAR1 (0.59) LPAR1CXCR5

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-2303270-B1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-17 — — EP claimed
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