SCHEMBL9187752

SCHEMBL9187752

Cc1ccc(C(=O)NCC(C)C)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 2/20 0.59
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TP53 P04637 1/20 0.52
KMT2A Q03164 3/20 0.51
HSD17B10 Q99714 2/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 3/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.48
MAPK14 Q16539 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MLYCD O95822 1/20 0.46
ATM Q13315 1/20 0.46
MAOB P27338 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL5857441 0.89 SMN1; SMN2 (0.57) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL12121137 0.84 TP53 (0.50) SMN1; SMN2HTTTP53KMT2AHSD17B10
SCHEMBL20460612 0.84 TP53 (0.50) SMN1; SMN2HTTTP53KMT2AHSD17B10
SCHEMBL24598470 0.81 TP53 (0.74) SMN1; SMN2HTTNPC1RAB9ATP53
SCHEMBL17847344 0.81 TP53 (0.74) SMN1; SMN2HTTNPC1RAB9ATP53
SCHEMBL4156165 0.81 SMN1; SMN2 (0.64) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL10602569 0.81 SMN1; SMN2 (0.64) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL24598450 0.80 TP53 (0.63) SMN1; SMN2TP53KMT2AHSD17B10GAA
SCHEMBL3331311 0.79 HPGD (0.60) SMN1; SMN2NPC1RAB9AKMT2AHSD17B10
SCHEMBL178516 0.79 MLYCD (0.65) SMN1; SMN2NPC1RAB9AKMT2AHSD17B10

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-0670874-A1 LOW SUDSING POLYHYDROXY FATTY ACID AMIDE DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1995-09-13 EP claimed
WO-1994012597-A1 LOW SUDSING POLYHYDROXY FATTY ACID AMIDE DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1994-06-09 WO claimed
EP-3357916-A1 BENZAMIDE DERIVATIVE CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2018-08-08 EP disclosed