SCHEMBL7330723

SCHEMBL7330723

CCOC(=O)CC(c1ccccc1)N1C(=O)c2cc(C#CC(S)CNC(=O)OC(C)(C)C)ccc2N(Cc2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.35
ALDH1A1 P00352 2/20 0.33
SYK P43405 1/20 0.32
UTS2R Q9UKP6 1/20 0.31
MAPT P10636 2/20 0.30
PKM P14618 2/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7323996 0.93 MDM2 (0.36) MDM2ALDH1A1SYKMAPTPKM
SCHEMBL7326553 0.91 MDM2 (0.33) MDM2SYKUTS2R
SCHEMBL7331722 0.90 UTS2R (0.34) MDM2UTS2R
SCHEMBL7325014 0.90 UTS2R (0.32) MDM2UTS2R
SCHEMBL7322301 0.88 MDM2 (0.36) MDM2ALDH1A1UTS2R
SCHEMBL7331886 0.85 ITGB3 (0.33) ALDH1A1SYKUTS2RMAPTPKM
SCHEMBL7332636 0.84 MDM2 (0.35) MDM2
SCHEMBL7328784 0.84 MDM2 (0.34) MDM2SYKUTS2R
SCHEMBL7327814 0.83 MDM2 (0.32) MDM2SYKUTS2R
SCHEMBL7323458 0.83 GAA (0.32) MDM2SYKUTS2R

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
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed