SCHEMBL18874180

SCHEMBL18874180

CCOC(=O)C1(Nc2ccc(OC)c(OCCc3cccc(C)c3)c2)Cc2cscc2C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.49
▸ ALOX5 P09917 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SIGMAR1 Q99720 4/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ DHFR P00374 1/20 0.36
▸ EBP Q15125 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34

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
SCHEMBL1561205 0.87 LPAR1 (0.61) LPAR1ALOX5ACHEHDAC1HDAC2
SCHEMBL18874390 0.86 LPAR1 (0.51) LPAR1ALOX5SIRT2SIGMAR1ACHE
SCHEMBL18874305 0.82 LPAR1 (0.51) LPAR1ALOX5SIRT2SIGMAR1HDAC1
SCHEMBL18873929 0.79 LPAR1 (0.55) LPAR1ALOX5SIRT2SIGMAR1HDAC1
SCHEMBL18873931 0.79 LPAR1 (0.53) LPAR1ALOX5SIRT2SIGMAR1HDAC1
SCHEMBL18874049 0.79 LPAR1 (0.55) LPAR1ALOX5SIRT2SIGMAR1
SCHEMBL1560794 0.79 LPAR1 (0.71) LPAR1SIGMAR1ACHEHDAC1HDAC2
SCHEMBL26242451 0.79 LPAR1 (0.64) LPAR1SIGMAR1ACHEHDAC1MAPT
SCHEMBL18874414 0.78 LPAR1 (0.51) LPAR1ALOX5SIRT2SIGMAR1HDAC1
SCHEMBL18874036 0.78 LPAR1 (0.56) LPAR1SIRT2SMN1; SMN2MAPT

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 disclosed
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