SCHEMBL7276578

SCHEMBL7276578

CC(C)(C)OC(=O)NCCCCc1ccc(OC[C@@H]2C[C@@H](CC(=O)O)C(=O)N2Cc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.43
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ACE P12821 1/20 0.38
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
KMT2A Q03164 2/20 0.38
S1PR1 P21453 3/20 0.38
NAMPT P43490 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7276087 0.94 SIGMAR1 (0.45) SIGMAR1NPSR1ACECA12CA1
SCHEMBL7282068 0.94 SIGMAR1 (0.45) SIGMAR1NPSR1ACECA12CA1
SCHEMBL7283236 0.93 SIGMAR1 (0.46) SIGMAR1NPSR1ACECA12CA1
SCHEMBL7274234 0.91 SIGMAR1 (0.44) SIGMAR1NPSR1ACE
SCHEMBL7272287 0.91 SIGMAR1 (0.42) SIGMAR1HDAC2HDAC8HDAC6FNTA
SCHEMBL7284966 0.90 SUCNR1 (0.42) SIGMAR1CA12CA1CA2CA9
SCHEMBL7275657 0.89 SIGMAR1 (0.46) SIGMAR1HDAC8CA1CA2KMT2A
SCHEMBL7282728 0.88 SIGMAR1 (0.40) SIGMAR1KCNH2ACECA12CA1
SCHEMBL7282506 0.87 SIGMAR1 (0.45) SIGMAR1NPSR1ACEKMT2A
SCHEMBL7274737 0.86 SIGMAR1 (0.43) SIGMAR1KMT2ANAMPT

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