SCHEMBL7275083

SCHEMBL7275083

C=CC[C@@H]1C[C@@H](COS(C)(=O)=O)N(CCCCOc2ccccc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNA3 P22001 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33

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
SCHEMBL7275714 0.87 FAAH (0.39)
SCHEMBL7274866 0.86 CHRNB4 (0.38)
SCHEMBL7282844 0.84 ALOX12 (0.37) ALOX12MEN1KMT2AKDM4EALDH1A1
SCHEMBL8881174 0.84 ALOX12 (0.37) ALOX12KCNA3
SCHEMBL8881170 0.84 ALOX12 (0.37) ALOX12KCNA3
SCHEMBL7275578 0.84 ALOX12 (0.37) ALOX12KCNA3
SCHEMBL7281067 0.84 MGLL (0.41) MEN1KMT2A
SCHEMBL7281928 0.83 F2 (0.36) MEN1KMT2AALDH1A1
SCHEMBL7274552 0.83 TK1 (0.34) ALOX12
SCHEMBL7275003 0.82 ELANE (0.37) ALDH1A1

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