SCHEMBL7377635

SCHEMBL7377635

COC(=O)c1cc2c(cc1C(=O)OC)OCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.61
ALDH1A1 P00352 8/20 0.61
KMT2A Q03164 5/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
TARBP2 Q15633 1/20 0.49
HPGD P15428 4/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48

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
SCHEMBL14108191 0.89 ALDH1A1 (0.54) KDM4EALDH1A1KMT2ARAB9AMEN1
SCHEMBL8569388 0.89 KDM4E (0.54) KDM4EALDH1A1KMT2ARAB9AMEN1
SCHEMBL31324803 0.87 KDM4E (0.81) KDM4EALDH1A1KMT2ARAB9AMEN1
SCHEMBL8569614 0.87 ALDH1A1 (0.57) KDM4EALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL17782662 0.87 KDM4E (0.53) KDM4EALDH1A1KMT2ARAB9AMEN1
SCHEMBL5666716 0.87 KDM4E (0.81) KDM4EALDH1A1KMT2ARAB9AMEN1
SCHEMBL14084357 0.84 KDM4E (0.50) KDM4EALDH1A1KMT2ARAB9AMEN1
SCHEMBL10617873 0.84 HPGD (0.57) KDM4EALDH1A1KMT2ARAB9AMEN1
SCHEMBL20740113 0.83 KDM4E (0.49) KDM4EALDH1A1KMT2ARAB9AMEN1
SCHEMBL5666638 0.82 MAPT (0.53) KDM4EALDH1A1KMT2ARAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790974-B1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS BAYER AG (US) 2002-08-14 EP disclosed
US-6166082-A Substituted 5-biarylpentanoic acids and derivatives as matrix metalloprotease inhibitors BAYER CORPORATION (US) 2000-12-26 US disclosed
US-5789434-A ACID, ESTER OR AMIDE DERIVATIVES AS ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS AND REDUCTION OF CARTILAGE DETERIORATION BAYER CORPORATION (US) 1998-08-04 US disclosed
EP-0790974-A1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS Bayer Corporation (US) 1997-08-27 EP disclosed
WO-1996015096-A1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS BAYER CORPORATION (US) 1996-05-23 WO disclosed