SCHEMBL6749593

SCHEMBL6749593

CC=C(C)C(=O)NC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.33
NPC1 O15118 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
EGFR P00533 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL6749586 1.00 EPHX1 (0.39) EPHX1MEN1KMT2ACYP2C9CYP1A2
SCHEMBL6240862 0.79 NFKB1 (0.30)
SCHEMBL24637748 0.78 EPHX1 (0.35) EPHX1MEN1KMT2ACYP2C9CYP1A2
SCHEMBL9065004 0.78 HTT (0.40) EPHX1MEN1KMT2ACYP2C9CYP1A2
SCHEMBL15255475 0.78 HTT (0.40) EPHX1MEN1KMT2ACYP2C9CYP1A2
SCHEMBL9064999 0.77 EPHX1 (0.34) EPHX1MEN1KMT2ACYP2C9CYP1A2
SCHEMBL9065002 0.77 EPHX1 (0.34) EPHX1MEN1KMT2ACYP2C9CYP1A2
SCHEMBL16188979 0.77 POLB (0.33) RAB9APOLBNPC1
SCHEMBL23682612 0.77 EPHX1 (0.34) EPHX1MEN1KMT2ACYP2C9CYP1A2
SCHEMBL6859267 0.76 KDM4E (0.46) EPHX1MEN1KMT2ACYP2C9CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1092729-B1 POLYMERIZATION CATALYST, NOVEL TRANSITION METAL COMPOUND, AND POLYMERIZATION METHOD AND COPOLYMER USING THEM MITSUI CHEMICALS INC (JP) 2012-09-26 EP disclosed
US-6703459-B1 ORGANIC TRANSITION METAL COMPLEXES HAVING SPECIFIC STRUCTURE, WHICH CAN FORM COPOLYMERS HAVING LINKAGE FORMED BY MIGRATION OF ACTIVE HYDROGEN OF UNSATURATED MONOMER MITSUI CHEMICALS, INC. (JP) 2004-03-09 US disclosed
EP-1092729-A1 POLYMERIZATION CATALYST, NOVEL TRANSITION METAL COMPOUND, AND POLYMERIZATION METHOD AND COPOLYMER USING THEM Mitsui Chemicals, Inc. (JP) 2001-04-18 EP disclosed