SCHEMBL7275657

SCHEMBL7275657

CC(C)(C)OC(=O)NCCc1ccc(OC[C@@H]2C[C@@H](CC(=O)O)C(=O)N2CCCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CTSK P43235 1/20 0.37
CACNA1G O43497 1/20 0.37
S1PR1 P21453 3/20 0.37
S1PR3 Q99500 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
EPHX2 P34913 1/20 0.36
PLAAT3 P53816 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
SCHEMBL7283236 0.95 SIGMAR1 (0.46) SIGMAR1ALDH1A1LMNAMAPTCACNA1G
SCHEMBL7282068 0.94 SIGMAR1 (0.45) SIGMAR1CACNA1GS1PR1CA1CA2
SCHEMBL7274737 0.93 SIGMAR1 (0.43) SIGMAR1NAMPTALDH1A1LMNAMAPT
SCHEMBL7274234 0.93 SIGMAR1 (0.44) SIGMAR1ALDH1A1LMNAMAPTCACNA1G
SCHEMBL7283872 0.93 SIGMAR1 (0.44) SIGMAR1NAMPTALDH1A1CTSKCACNA1G
SCHEMBL7276087 0.93 SIGMAR1 (0.45) SIGMAR1NAMPTCACNA1GS1PR1S1PR3
SCHEMBL7284966 0.91 SUCNR1 (0.42) SIGMAR1CACNA1GS1PR1S1PR3CA1
SCHEMBL7280624 0.90 SIGMAR1 (0.45) SIGMAR1NAMPTALDH1A1LMNAMAPT
SCHEMBL7276578 0.89 SIGMAR1 (0.43) SIGMAR1NAMPTS1PR1S1PR3CA1
SCHEMBL7282506 0.89 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 3 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
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed