SCHEMBL23601702

SCHEMBL23601702

Cc1cccc(-c2ccc(OC(C)C(F)(F)F)nc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
KDR P35968 1/20 0.40
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
AR P10275 1/20 0.38
PTPN5 P54829 1/20 0.36
CYP11B1 P15538 1/20 0.36
PDK2 Q15119 1/20 0.36
GRIN2B Q13224 1/20 0.35
GPR88 Q9GZN0 3/20 0.35
MAP4K4 O95819 1/20 0.35
KIT P10721 1/20 0.35
GAK O14976 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL24721057 0.85 PTPN5 (0.43) HSD17B1HSD17B2PIK3CDPIK3CAPIK3CB
SCHEMBL13680445 0.80 HSD17B1 (0.46) HSD17B1HSD17B2KDRARPTPN5
SCHEMBL23601700 0.78 L3MBTL1 (0.44) HSD17B1HSD17B2KDRARALDH1A1
SCHEMBL23600940 0.78 CCR1 (0.38) CYP11B1GRIN2BGPR88ALDH1A1GABRA5
SCHEMBL12498936 0.76 HSD17B1 (0.67) HSD17B1HSD17B2KDRPIK3CDPIK3CA
SCHEMBL23601917 0.74 PIK3CD (0.50) HSD17B1HSD17B2KDRPIK3CDPIK3CA
SCHEMBL13036072 0.72 AR (0.48) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL29499578 0.71 LIPE (0.36) CYP11B1GPR88ALDH1A1GABRA5
SCHEMBL24946129 0.71 FEN1 (0.41) PIK3CDPIK3CAPIK3CBPIK3CGGPR88
SCHEMBL23116240 0.70 GPR88 (0.39) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed