SCHEMBL7274737

SCHEMBL7274737

CC(C)(C)OC(=O)NCc1ccc(OC[C@@H]2C[C@@H](CC(=O)O)C(=O)N2CCCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.43
HDAC1 Q13547 2/20 0.39
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CACNA1G O43497 2/20 0.38
POLB P06746 1/20 0.37
PPARA Q07869 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL7275657 0.93 SIGMAR1 (0.46) SIGMAR1NAMPTALDH1A1LMNAMAPT
SCHEMBL7283236 0.92 SIGMAR1 (0.46) SIGMAR1ALDH1A1LMNAMAPTCACNA1G
SCHEMBL7275556 0.92 SIGMAR1 (0.42) SIGMAR1NAMPTITGB1ITGA5CACNA1G
SCHEMBL7282068 0.91 SIGMAR1 (0.45) SIGMAR1CACNA1GMEN1KMT2A
SCHEMBL7274234 0.90 SIGMAR1 (0.44) SIGMAR1HDAC1ALDH1A1LMNAMAPT
SCHEMBL7276087 0.89 SIGMAR1 (0.45) SIGMAR1NAMPTCACNA1GMEN1KMT2A
SCHEMBL7284966 0.87 SUCNR1 (0.42) SIGMAR1CACNA1G
SCHEMBL7283872 0.86 SIGMAR1 (0.44) SIGMAR1NAMPTALDH1A1CACNA1G
SCHEMBL7276578 0.86 SIGMAR1 (0.43) SIGMAR1NAMPTKMT2A
SCHEMBL7282506 0.86 SIGMAR1 (0.45) SIGMAR1CACNA1GMEN1KMT2A

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