SCHEMBL7272973

SCHEMBL7272973

COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C#N)cc3)cc2)N(CC(=O)NCc2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
MAPK1 P28482 2/20 0.39
RCE1 Q9Y256 1/20 0.39
PPARA Q07869 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 2/20 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
SCHEMBL7276199 0.92 HPGD (0.45) HPGDABCB1ABCG2ALDH1A1KDM4E
SCHEMBL7283591 0.89 KDM4E (0.40) HPGDABCB1ABCG2ALDH1A1KDM4E
SCHEMBL8881533 0.88 ABCB1 (0.42) HPGDABCB1ABCG2KDM4ETSHR
Hydrochloric Acid SCHEMBL7274534 0.87 F2 (0.43)
SCHEMBL7284165 0.87 MMP2 (0.42) HPGDABCB1ABCG2ALDH1A1KDM4E
SCHEMBL7274712 0.87 HPGD (0.45) HPGDABCB1ABCG2ALDH1A1KDM4E
SCHEMBL7273850 0.86 ABCB1 (0.46) HPGDABCB1ABCG2ALDH1A1KDM4E
SCHEMBL7283840 0.85 CYP19A1 (0.42) HPGDABCB1ABCG2KDM4ETSHR
SCHEMBL7282551 0.85 ABCB1 (0.44) HPGDABCB1ABCG2ALDH1A1KDM4E
SCHEMBL7281268 0.85 ABCB1 (0.44) HPGDABCB1ABCG2ALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed