SCHEMBL18874390

SCHEMBL18874390

COC(=O)C1(Nc2ccc(OC)c(OCCc3cccc(C)c3)c2)Cc2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.51
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ SIGMAR1 Q99720 5/20 0.42
▸ ALOX5 P09917 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ EBP Q15125 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ POLB P06746 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
SCHEMBL18874305 0.93 LPAR1 (0.51) LPAR1SIRT2SIGMAR1ALOX5HDAC1
SCHEMBL18874395 0.88 LPAR1 (0.66) LPAR1SIRT2ALOX5HDAC1HDAC2
SCHEMBL18874040 0.88 LPAR1 (0.45) LPAR1SIGMAR1NPC1RAB9A
SCHEMBL18874180 0.86 LPAR1 (0.49) LPAR1SIRT2SIGMAR1ALOX5HDAC1
SCHEMBL1561627 0.85 LPAR1 (0.67) LPAR1SIRT2SIGMAR1HDAC1HDAC2
SCHEMBL29398945 0.85 LPAR1 (0.67) LPAR1SIRT2SIGMAR1HDAC1HDAC2
SCHEMBL18873931 0.85 LPAR1 (0.53) LPAR1SIRT2SIGMAR1ALOX5HDAC1
SCHEMBL18874049 0.85 LPAR1 (0.55) LPAR1SIRT2SIGMAR1ALOX5NPC1
SCHEMBL18873882 0.84 LPAR1 (0.56) LPAR1SIRT2SIGMAR1
SCHEMBL18874036 0.84 LPAR1 (0.56) LPAR1SIRT2POLB

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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