SCHEMBL7274716

SCHEMBL7274716

COC(=O)C[C@@H]1C[C@@H](CNC(=O)c2ccc(C3CC(NC(=O)OC(C)(C)C)C3)cc2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
CHRM4 P08173 1/20 0.34
KDM1A O60341 2/20 0.34
SRC P12931 1/20 0.34
CACNA1G O43497 1/20 0.34
MAOB P27338 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
Water SCHEMBL7275243 0.93 KMT2A (0.40) KMT2AL3MBTL1SIGMAR1LMNAHPGD
SCHEMBL7281991 0.86 KMT2A (0.36) KMT2AL3MBTL1SIGMAR1
SCHEMBL7283087 0.84 KDM1A (0.39) LMNAHPGDOPRM1OPRD1CHRM4
SCHEMBL7284971 0.84 KDM1A (0.39) LMNAHPGDOPRM1OPRD1CHRM4
SCHEMBL7283082 0.84 KDM1A (0.39) LMNAHPGDOPRM1OPRD1CHRM4
SCHEMBL7284740 0.83 CHRM4 (0.37) LMNAHPGDOPRM1OPRD1CHRM4
SCHEMBL7281644 0.83 CHRM4 (0.37) LMNAHPGDOPRM1OPRD1CHRM4
SCHEMBL7281650 0.83 CHRM4 (0.37) LMNAHPGDOPRM1OPRD1CHRM4
SCHEMBL7271758 0.82 SIGMAR1 (0.38) KMT2AL3MBTL1SIGMAR1OPRM1OPRD1
SCHEMBL7274528 0.82 SIGMAR1 (0.45) KMT2ASIGMAR1LMNAHPGDOPRM1

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