SCHEMBL7323943

SCHEMBL7323943

CCOC(=O)CCN1CC(=O)N(Cc2ccc(Oc3ccccc3)cc2)c2ccc(I)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
UCHL1 P09936 1/20 0.37
UCHL3 P15374 1/20 0.37
PTPN1 P18031 2/20 0.36
PTPRF P10586 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPRB P23467 1/20 0.36
ACP1 P24666 1/20 0.36
P2RX3 P56373 3/20 0.36
MDM2 Q00987 1/20 0.36
CCR8 P51685 1/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7330263 0.93 CCR8 (0.44) MEN1KMT2ACCR8ALDH1A1LMNA
SCHEMBL7328979 0.91 HDAC6 (0.41) CHRM5MEN1KMT2APTGDR2UCHL1
SCHEMBL7335737 0.89 CTRB1 (0.41) MEN1KMT2AUCHL1UCHL3ALDH1A1
SCHEMBL7329514 0.85 HSP90AA1 (0.43) CHRM5PTGDR2UCHL1UCHL3MDM2
SCHEMBL7319614 0.81 TNF (0.38) KMT2ANPSR1ALDH1A1LMNA
SCHEMBL7328570 0.81 POLB (0.45) ALDH1A1LMNAHTT
SCHEMBL7332495 0.80 ALDH1A1 (0.40) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7331215 0.80 TPSAB1 (0.39) CHRM5
SCHEMBL7330496 0.80 TPSAB1 (0.39) CHRM5
SCHEMBL7325381 0.80 ITGB3 (0.46) MEN1KMT2AALDH1A1

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