SCHEMBL9192084

SCHEMBL9192084

COC(=O)c1cc(CC=O)c[nH]1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.53
BAZ2A Q9UIF9 1/20 0.53
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL9284395 0.87 BAZ2B (0.50) BAZ2BBAZ2AALDH1A1KMT2AGAA
SCHEMBL4544349 0.84 BAZ2B (0.62) BAZ2BBAZ2AALDH1A1KMT2AGAA
SCHEMBL16364739 0.82 BAZ2B (0.56) BAZ2BBAZ2AALDH1A1KMT2AGAA
SCHEMBL3113139 0.81 BAZ2B (0.54) BAZ2BBAZ2AALDH1A1KMT2AGAA
Hydrochloric Acid SCHEMBL5546234 0.79 BAZ2B (0.53) BAZ2BBAZ2AALDH1A1KMT2AGAA
SCHEMBL9908199 0.79 BAZ2B (0.57) BAZ2BBAZ2AALDH1A1KMT2AGAA
Hydrochloric Acid SCHEMBL7377017 0.79 BAZ2B (0.53) BAZ2BBAZ2AALDH1A1KMT2AGAA
SCHEMBL5710422 0.78 DAO (0.53) ALDH1A1KMT2AGAAMEN1LMNA
SCHEMBL9191438 0.77 BAZ2B (0.45) BAZ2BBAZ2AALDH1A1KMT2AMEN1
SCHEMBL9191440 0.77 BAZ2B (0.45) BAZ2BBAZ2AALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538528-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
WO-2018089360-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
EP-0434070-B1 Pyrrolealdehyde derivative MITSUBISHI CHEM CORP (JP) 1995-08-09 EP disclosed
US-5153217-A Antiiipemic, anticholesterol agents MITSUBISHI KASEI CORPORATION (JP) 1992-10-06 US disclosed
EP-0434070-A2 Pyrrolealdehyde derivative Mitsubishi Chemical Corporation (JP) 1991-06-26 EP disclosed
EP-0068460-A1 Tricyclic derivatives of substituted pyrrole acids as analgesic and anti-inflammatory agents MERCK & CO. INC. (US) 1983-01-05 EP disclosed