SCHEMBL8764635

SCHEMBL8764635

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.35
THRB P10828 2/20 0.31
THRA P10827 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
SCHEMBL9398270 0.92 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8764497 0.89 ZDHHC20 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4909167 0.88 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL21728872 0.87 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL9397172 0.85 ZDHHC20 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8765999 0.84 TSHR (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL9398466 0.82 TSHR (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL13817951 0.81 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL2558765 0.81 ZDHHC20 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL6232093 0.81 CYP3A4 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5275811-A Terpolymer resin of vinyl ester, acrylamide and maleate ISP INVESTMENTS INC. (US) 1994-01-04 US 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
US-5196495-A Hair spray; terpolymer of a vinyl ester, alkyl maleate half ester and a substituted acrylamide ISP INVESTMENTS INC. (US) 1993-03-23 US disclosed
EP-0505972-A2 Process for producing styrenic copolymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-09-30 EP disclosed
EP-0490269-A1 Graft copolymer and process for producing the same IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-06-17 EP disclosed