SCHEMBL28644147

SCHEMBL28644147

CCc1ccc(C(=O)OCCC(C)C)c(N)c1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRB2 P47870 1/20 0.44
HSD17B10 Q99714 4/20 0.41
PKM P14618 2/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.37
CYP19A1 P11511 1/20 0.37
PPARG P37231 1/20 0.36
TSHR P16473 4/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35

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
SCHEMBL28293073 0.86 GABRA1 (0.45) GABRA1GABRB1GABRA3GABRB2HSD17B10
SCHEMBL2909323 0.84 ALDH1A1 (0.42) HSD17B10MAPK1ALDH1A1KDM4EGAA
SCHEMBL4914060 0.82 ALDH1A1 (0.51) HSD17B10MAPK1ALDH1A1KDM4EGAA
SCHEMBL8199986 0.80 CA12 (0.44) HSD17B10MAPK1ALDH1A1KDM4EKMT2A
SCHEMBL28631558 0.77 KDM4E (0.45) HSD17B10ALDH1A1KDM4EGAAHTT
SCHEMBL2177470 0.77 HSD17B10 (0.43) GABRA1GABRB1GABRA3GABRB2HSD17B10
SCHEMBL27892452 0.75 ALDH1A1 (0.50) GABRA1GABRB1GABRA3GABRB2HSD17B10
SCHEMBL28589777 0.74 CYP2D6 (0.55) GABRA1GABRB1GABRA3GABRB2HSD17B10
SCHEMBL31091518 0.74 TDP1 (0.47) GABRA1GABRB1GABRA3GABRB2HSD17B10
SCHEMBL8460800 0.72 HSD17B10 (0.43) GABRA1GABRB1GABRA3GABRB2HSD17B10

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
CN-109789715-B Method for producing printed matter using lithographic ink, and lithographic ink set 东丽株式会社 2021-10-08 CN disclosed