SCHEMBL7334667

SCHEMBL7334667

CCOC(=O)CC(NC(=O)c1cc(I)ccc1NC(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 3/20 0.43
THRB P10828 3/20 0.43
CYP26A1 O43174 1/20 0.43
NPC1 O15118 1/20 0.42
TACR3 P29371 1/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KCNA5 P22460 2/20 0.41
CNR2 P34972 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNK3 O14649 1/20 0.40
CXCR2 P25025 1/20 0.40
POLB P06746 2/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL7332776 0.89 ALDH1A1 (0.44) ALDH1A1LMNAKDM4ETHRBCYP26A1
SCHEMBL7332244 0.88 ALDH1A1 (0.41) ALDH1A1LMNAKDM4ETHRBNPC1
SCHEMBL7323000 0.88 ALDH1A1 (0.43) ALDH1A1LMNAKDM4ETHRBCYP26A1
SCHEMBL7331581 0.86 THRB (0.36) ALDH1A1LMNAKDM4ETHRBNPC1
SCHEMBL7328034 0.86 ALDH1A1 (0.42) ALDH1A1LMNAKDM4ETHRBCYP26A1
SCHEMBL7335381 0.84 ALDH1A1 (0.49) ALDH1A1LMNAKDM4ETHRBCYP26A1
SCHEMBL7332779 0.79 ALDH1A1 (0.44) ALDH1A1LMNAKDM4ETHRBCYP26A1
SCHEMBL7356190 0.78 CDC25B (0.43) ALDH1A1LMNAKDM4ETHRBNPC1
SCHEMBL7334670 0.78 TACR3 (0.44) ALDH1A1LMNAKDM4ETHRBCYP26A1
SCHEMBL7329567 0.78 ATM (0.40) ALDH1A1LMNAKDM4EMEN1KMT2A

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 9 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
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