SCHEMBL6749595

SCHEMBL6749595

C=C(C(=O)NC(C)C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 4/20 0.48
NPSR1 Q6W5P4 4/20 0.48
MAPT P10636 2/20 0.48
XBP1 P17861 1/20 0.48
ATM Q13315 1/20 0.48
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 6/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL5612115 0.82 HPGD (0.46) SMN1; SMN2LMNANPSR1MAPTXBP1
SCHEMBL12018317 0.80 CES2 (0.52) SMN1; SMN2LMNANPSR1MAPTXBP1
SCHEMBL15323028 0.79 TAS1R3 (0.48) LMNANPSR1MAPTCYP1A2CYP2C9
SCHEMBL4530513 0.78 TSHR (0.45) SMN1; SMN2LMNANPSR1MAPTXBP1
SCHEMBL5264972 0.78 KMT2A (0.43) ALDH1A1GAARAB9A
SCHEMBL26347289 0.77 ALDH1A1 (0.49) SMN1; SMN2LMNANPSR1MAPTXBP1
SCHEMBL648422 0.75 HDAC8 (0.54) SMN1; SMN2LMNANPSR1MAPTXBP1
SCHEMBL24998749 0.75 MLYCD (0.58) SMN1; SMN2LMNANPSR1CYP1A2CYP2C19
SCHEMBL12197839 0.75 NPSR1 (0.45) SMN1; SMN2LMNANPSR1MAPTXBP1
SCHEMBL155518 0.75 MLYCD (0.58) SMN1; SMN2LMNANPSR1CYP1A2CYP2C19

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