SCHEMBL7322908

SCHEMBL7322908

CCOC(=O)CCNC(=O)c1cc(I)ccc1Nc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.43
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
PTGS1 P23219 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL7326028 0.88 MAPT (0.41) PTGS2AKR1C3AKR1C2HPGDHSD17B10
SCHEMBL7322396 0.88 ALDH1A1 (0.45) PTGS2AKR1C3AKR1C2HSD17B10MAPT
SCHEMBL9318985 0.87 AKR1C3 (0.48) PTGS2AKR1C3AKR1C2HPGDHSD17B10
SCHEMBL7326942 0.86 KMT2A (0.41) HPGDHSD17B10KMT2AMEN1LMNA
SCHEMBL7332598 0.86 AKR1C3 (0.43) AKR1C3AKR1C2KMT2AMAPTMEN1
SCHEMBL7322786 0.84 CTSV (0.62) AKR1C3AKR1C2KMT2AMAPTMEN1
SCHEMBL7323307 0.82 CYP1A2 (0.39) HPGDKMT2AMAPTMEN1KDM4E
SCHEMBL7334498 0.76 CYP1A2 (0.39) HPGDHSD17B10KMT2AMAPTMEN1
SCHEMBL8836853 0.76 HPGD (0.46) HPGDKMT2AMAPTMEN1LMNA
SCHEMBL8836859 0.76 CYP3A4 (0.41) KMT2AMEN1POLBALDH1A1

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-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed