SCHEMBL7276128

SCHEMBL7276128

C=CC[C@@H]1C[C@@H](CO)N(CCCc2ccc(OCc3ccccc3)cc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
EPHX2 P34913 1/20 0.46
SSTR5 P35346 2/20 0.44
MGLL Q99685 2/20 0.40
HRH3 Q9Y5N1 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
HTT P42858 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ALOX5 P09917 1/20 0.39
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
BCHE P06276 1/20 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
SCHEMBL7275324 0.90 CHRNB4 (0.39) MGLLKMT2AMEN1
SCHEMBL7275478 0.90 CHRNB4 (0.39) MGLLKMT2AMEN1
SCHEMBL7283442 0.87 GAA (0.39) MGLLKMT2AMEN1
SCHEMBL7281067 0.86 MGLL (0.41) LTA4HEPHX2SSTR5MGLLHRH3
SCHEMBL7283379 0.86 SSTR5 (0.41) LTA4HEPHX2SSTR5MGLLHRH3
SCHEMBL7274062 0.83 ALDH1A1 (0.39) KMT2AMEN1HTT
SCHEMBL7282844 0.83 ALOX12 (0.37) KMT2AMEN1SPHK1
SCHEMBL7283886 0.82 TGM2 (0.43) LTA4HEPHX2KMT2AHTT
SCHEMBL7275517 0.81 SIGMAR1 (0.43) LTA4HEPHX2SSTR5BCHE
SCHEMBL7283123 0.81 TEAD3 (0.42) LTA4HMGLLKMT2AMEN1

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