SCHEMBL18832656

SCHEMBL18832656

COc1ncc(C(=O)NC2(OC(=O)O)Cc3ccccc3C2)cc1OCCc1cccc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.54
▸ GPR132 Q9UNW8 1/20 0.39
▸ CTSA P10619 4/20 0.37
▸ NOX1 Q9Y5S8 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ VNN1 O95497 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ F10 P00742 1/20 0.33

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
SCHEMBL1561415 0.88 LPAR1 (0.69) LPAR1GPR132
SCHEMBL18832654 0.87 LPAR1 (0.63) LPAR1NOX1HDAC1
SCHEMBL18832667 0.86 LPAR1 (0.53) LPAR1GPR132ALOX5SIRT2F10
SCHEMBL18832675 0.84 LPAR1 (0.61) LPAR1GPR132NOX1SIRT2
SCHEMBL18832661 0.83 LPAR1 (0.60) LPAR1
SCHEMBL18832662 0.83 LPAR1 (0.60) LPAR1GPR132SIRT2
SCHEMBL18832657 0.82 LPAR1 (0.79) LPAR1GPR132NOX1SIRT2F10
SCHEMBL18832664 0.82 LPAR1 (0.58) LPAR1GPR132SIRT2
SCHEMBL18832658 0.82 LPAR1 (0.58) LPAR1GPR132SCN9A
SCHEMBL18832678 0.81 LPAR1 (0.63) LPAR1NOX1HDAC1

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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