SCHEMBL9229173

SCHEMBL9229173

O=C(O)c1cc(C(=O)NO)cc(C(=O)N(Cc2ccccc2)Cc2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 7/20 0.62
▸ HDAC6 Q9UBN7 7/20 0.62
▸ HDAC8 Q9BY41 2/20 0.62
▸ HDAC3 O15379 1/20 0.62
▸ HDAC7 Q8WUI4 1/20 0.62
▸ HDAC10 Q969S8 1/20 0.62
▸ LPAR1 Q92633 12/20 0.55
▸ LPAR5 Q9H1C0 11/20 0.55

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
SCHEMBL9081270 0.91 LPAR1 (0.63) LPAR1LPAR5
SCHEMBL9082353 0.86 LPAR1 (0.59) LPAR1LPAR5
SCHEMBL9080591 0.85 LPAR1 (0.57) LPAR1LPAR5
SCHEMBL9080884 0.84 LPAR1 (0.64) LPAR1LPAR5
SCHEMBL9081322 0.83 LPAR1 (0.55) LPAR1LPAR5
SCHEMBL9081978 0.83 LPAR1 (0.53) LPAR1LPAR5
SCHEMBL9079600 0.81 LPAR1 (0.56) LPAR1LPAR5
SCHEMBL9081391 0.81 LPAR1 (0.53) LPAR1LPAR5
SCHEMBL9082212 0.79 ALDH1A1 (0.58) LPAR1LPAR5
SCHEMBL9080942 0.79 PTGES (0.56) LPAR1LPAR5

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
WO-1996034851-A1 BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 — — WO disclosed
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