SCHEMBL16906331

SCHEMBL16906331

CC(=O)NC(C)(C)c1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
GAA P10253 1/20 0.47
LMNA P02545 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 3/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL1900108 0.89 GAA (0.57) GAALMNAHTTL3MBTL1MAPT
SCHEMBL27799361 0.83 CYP3A4 (0.45) HSD17B10GAALMNAMEN1KMT2A
SCHEMBL18814668 0.83 GAA (0.49) GAALMNAHTTMAPTTSHR
SCHEMBL16906730 0.81 LMNA (0.49) GAALMNAMEN1KMT2AHTT
SCHEMBL29676217 0.81 KCNN4 (0.50) GAALMNAHTTL3MBTL1MAPT
SCHEMBL20738592 0.81 KCNN4 (0.50) GAALMNAHTTL3MBTL1MAPT
SCHEMBL20738625 0.81 USP36 (0.49) GAALMNASMN1; SMN2CYP2C19L3MBTL1
SCHEMBL17018582 0.80 CYP2C19 (0.44) GAALMNAMEN1KMT2AHTT
SCHEMBL18814665 0.79 GAA (0.49) GAALMNAMEN1KMT2AHTT
SCHEMBL2283304 0.79 SSTR4 (0.51) HSD17B10GAAKMT2ACYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150197665-A1 LOWER TEMPERATURE CURE COATING COMPOSITIONS KING INDUSTRIES (US) 2015-07-16 US disclosed