SCHEMBL7272287

SCHEMBL7272287

C=CC[C@@H]1C[C@@H](COc2ccc(CCCCNC(=O)OC(C)(C)C)cc2)N(Cc2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
PGGT1B P53609 2/20 0.39
KCNH2 Q12809 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
KMT2A Q03164 2/20 0.37
NAMPT P43490 1/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACE P12821 1/20 0.36
FAAH O00519 1/20 0.35

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
SCHEMBL7282368 0.94 SIGMAR1 (0.44) SIGMAR1FNTAFNTBPGGT1BKCNH2
SCHEMBL7274358 0.94 SIGMAR1 (0.44) SIGMAR1FNTAFNTBPGGT1BKCNH2
SCHEMBL7283476 0.93 SIGMAR1 (0.45) SIGMAR1FNTAFNTBPGGT1BKCNH2
SCHEMBL7275517 0.91 SIGMAR1 (0.43) SIGMAR1NPSR1
SCHEMBL7276578 0.91 SIGMAR1 (0.43) SIGMAR1FNTAFNTBPGGT1BKCNH2
SCHEMBL7275258 0.90 CA12 (0.41) SIGMAR1FNTAFNTBPGGT1BKCNH2
SCHEMBL7280624 0.90 SIGMAR1 (0.45) SIGMAR1FNTAFNTBPGGT1BKCNH2
SCHEMBL7272211 0.87 SIGMAR1 (0.38) SIGMAR1CA12CA1CA2CA9
SCHEMBL7281590 0.87 SIGMAR1 (0.44) SIGMAR1NPSR1FAAH
SCHEMBL7368900 0.86 SIGMAR1 (0.42) SIGMAR1NPSR1

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