SCHEMBL7328034

SCHEMBL7328034

CCOC(=O)CC(NC(=O)c1cc(I)ccc1NCc1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
THRB P10828 3/20 0.42
CYP26A1 O43174 1/20 0.41
NPC1 O15118 1/20 0.41
TACR3 P29371 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
KCNA5 P22460 1/20 0.40
PPID Q08752 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 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
SCHEMBL7329704 0.90 MAPT (0.42) ALDH1A1LMNAKDM4ETHRBNPC1
SCHEMBL7334505 0.89 PPID (0.40) ALDH1A1LMNAKDM4EMAPTMEN1
SCHEMBL7332776 0.88 ALDH1A1 (0.44) ALDH1A1LMNAKDM4ETHRBCYP26A1
SCHEMBL7323000 0.86 ALDH1A1 (0.43) ALDH1A1LMNAKDM4ETHRBCYP26A1
SCHEMBL7334667 0.86 ALDH1A1 (0.43) ALDH1A1LMNAKDM4ETHRBCYP26A1
SCHEMBL7335381 0.82 ALDH1A1 (0.49) ALDH1A1LMNAKDM4ETHRBCYP26A1
SCHEMBL8959414 0.80 MAPT (0.44) LMNACYP26A1MAPTMAPK1MEN1
SCHEMBL7328040 0.77 ALDH1A1 (0.42) ALDH1A1LMNAKDM4ETHRBCYP26A1
SCHEMBL7332779 0.77 ALDH1A1 (0.44) ALDH1A1LMNAKDM4ETHRBCYP26A1
SCHEMBL7356190 0.77 CDC25B (0.43) ALDH1A1LMNAKDM4ETHRBNPC1

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