SCHEMBL9449865

SCHEMBL9449865

CC(C)CC(CO)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ EPHX2 P34913 1/20 0.47
▸ MDM4 O15151 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ PTPN1 P18031 1/20 0.44

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
SCHEMBL31520503 1.00 CASP3 (0.50) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL29398691 1.00 CASP3 (0.50) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL29400883 0.90 KMT2A (0.57) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL6520211 0.90 KMT2A (0.57) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL25186508 0.88 CASP3 (0.59) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL29400907 0.88 CASP3 (0.59) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL119197 0.88 CASP3 (0.59) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL30759963 0.88 CASP3 (0.59) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL14265318 0.88 CASP3 (0.59) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL1828815 0.87 KMT2A (0.52) CASP3KMT2AEPHX2MDM4TP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531443-A4 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN — 1993-04-21 — — EP disclosed
EP-0531443-A1 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN NOVA PHARMACEUTICAL CORPORATION (US) 1993-03-17 — — EP disclosed
US-5079260-A Side effect reduction; fluorene derivatives NOVA PHARMACEUTICAL CORPORATION (US) 1992-01-07 — — US disclosed
WO-1991018596-A1 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN WEITZBERG MOSHE (US) 1991-12-12 — — WO disclosed
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