SCHEMBL18874035

SCHEMBL18874035

COc1cc(Br)c(NC2(C(=O)O)Cc3ccccc3C2)cc1OCCc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 6/20 0.53
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MPI P34949 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SIRT2 Q8IXJ6 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
SCHEMBL1561628 0.86 LPAR1 (0.58) LPAR1
SCHEMBL1560511 0.81 LPAR1 (0.60) LPAR1
SCHEMBL1561271 0.80 LPAR1 (0.73) LPAR1POLBMAPT
SCHEMBL1561309 0.77 LPAR1 (0.55) LPAR1POLBPKMMEN1KMT2A
SCHEMBL1988472 0.75 LPAR1 (0.49) LPAR1POLBPKMMEN1KMT2A
SCHEMBL18874417 0.75 POLB (0.46) LPAR1POLBPKMMEN1KMT2A
SCHEMBL18874043 0.75 LPAR1 (0.48) LPAR1POLBSIGMAR1
SCHEMBL18874186 0.74 LPAR1 (0.49) LPAR1POLBSIGMAR1
SCHEMBL18874338 0.74 LPAR1 (0.47) LPAR1POLBSIGMAR1
SCHEMBL18087510 0.73 LPAR1 (0.60) LPAR1

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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