SCHEMBL7324864

SCHEMBL7324864

CCOC(=O)CC(C)N1C(=O)c2cc(CCCCCC#N)ccc2N(C(C)C)C(=O)C1c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MDM2 Q00987 4/20 0.31
TP53 P04637 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7331017 0.92 KDM4E (0.31) KDM4EALDH1A1MDM2TP53
SCHEMBL7330344 0.92 MDM2 (0.36) KDM4EALDH1A1MDM2TP53PPARG
SCHEMBL8843197 0.90 MAPT (0.32) KDM4EALDH1A1MDM2PPARGPPARA
SCHEMBL7329383 0.89 MAPT (0.38) ALDH1A1MDM2TP53
SCHEMBL7326303 0.87 MDM2 (0.35) KDM4EALDH1A1MDM2TP53
SCHEMBL7328504 0.86 MDM2 (0.37) KDM4EALDH1A1MDM2TP53CYP1A2
SCHEMBL7326646 0.85 TPSAB1 (0.36)
SCHEMBL7355407 0.84 MDM2 (0.33) KDM4EALDH1A1MDM2TP53
SCHEMBL7328680 0.82 MDM2 (0.36) MDM2TP53
SCHEMBL7332697 0.82 MDM2 (0.42) MDM2TP53

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
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 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
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