SCHEMBL8476754

SCHEMBL8476754

C=CC(=O)NCc1cccc(OCC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.55
ROCK1 Q13464 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
HDAC4 P56524 1/20 0.49
MEF2D Q14814 1/20 0.49
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
THRB P10828 1/20 0.47
EGFR P00533 2/20 0.47
BTK Q06187 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
MMP13 P45452 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
TGM2 P21980 1/20 0.47

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
SCHEMBL15822526 0.86 CA1 (0.57) CYP2D6SMN1; SMN2
SCHEMBL12968963 0.82 ROCK2 (0.60) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL8476285 0.82 MEN1 (0.60) CYP3A4SMN1; SMN2KMT2AALDH1A1TGM2
SCHEMBL732581 0.82 TGM2 (0.61) CYP2D6CYP2C9HPGDKMT2AEGFR
SCHEMBL13181426 0.81 TGM2 (0.53) CYP3A4CYP2D6CYP2C9HDAC4MEF2D
SCHEMBL28499209 0.81 MEN1 (0.51) SMN1; SMN2HPGDKMT2AEGFRBTK
SCHEMBL15831233 0.79 ROCK2 (0.56) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL29339238 0.79 AOC3 (0.57) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL9301965 0.78 BTK (0.43) CYP3A4CYP2C9SMN1; SMN2HPGDEGFR
SCHEMBL6581126 0.78 MMP13 (0.55) SMN1; SMN2HPGDKMT2AEGFRBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998091-A COPOLYMER OF A MONOFUNCTIONAL MACROMONOMER HAVING A PARTICULAR POLYMERIZABLE DOUBLE BOND-CONTAINING GROUP SITUATED AT ONLY ONE END OF THE MAIN CHAIN, A QUATERNARY AMMONIUM SALT AND AN AMIDE FUJI PHOTO FILM CO., LTD. (JP) 1999-12-07 US disclosed
EP-0505972-B1 Process for producing styrenic copolymer IDEMITSU KOSAN CO (JP) 1997-06-11 EP disclosed
EP-0490269-B1 Graft copolymer and process for producing the same IDEMITSU KOSAN CO (JP) 1996-02-28 EP disclosed
US-5250629-A Graft polymerization of styrene and ethylenically unsaturated monomer using transition metal catalysts, organoaluminum compounds; films, packaging, automobile parts IDEMITSU KOSAN CO., LTD. (JP) 1993-10-05 US disclosed
EP-0505972-A2 Process for producing styrenic copolymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-09-30 EP disclosed