SCHEMBL9397172

SCHEMBL9397172

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
TSHR P16473 5/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FAAH O00519 1/20 0.32
EPHX1 P07099 1/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 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
SCHEMBL9398270 0.93 ALDH1A1 (0.42) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL19069207 0.91 ZDHHC20 (0.51) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL21450645 0.89 ZDHHC20 (0.53) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL8764497 0.89 ZDHHC20 (0.44) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL8764635 0.85 ALDH1A1 (0.40) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL8766016 0.85 ZDHHC20 (0.41) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL29192590 0.82 ZDHHC20 (0.42) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL8765940 0.81 MEN1 (0.50) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL8765999 0.81 TSHR (0.38) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL29793370 0.80 ZDHHC20 (0.47) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9

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
US-5275811-A Terpolymer resin of vinyl ester, acrylamide and maleate ISP INVESTMENTS INC. (US) 1994-01-04 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
WO-1992013014-A1 HAIR FIXATIVE POLYMERS ISP INVESTMENTS INC. (US) 1992-08-06 WO disclosed