SCHEMBL23601700

SCHEMBL23601700

Cc1cccc(-c2ccc(OCC(F)(F)F)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
KDR P35968 1/20 0.44
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
SCN9A Q15858 3/20 0.43
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DGAT1 O75907 5/20 0.43
AR P10275 1/20 0.43
SYK P43405 2/20 0.40

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
SCHEMBL13680445 0.82 HSD17B1 (0.46) KDRHSD17B1HSD17B2AR
SCHEMBL23601917 0.82 PIK3CD (0.50) KDRHSD17B1HSD17B2
SCHEMBL12498936 0.79 HSD17B1 (0.67) CYP1A2KDRHSD17B1HSD17B2
SCHEMBL23601702 0.78 HSD17B1 (0.42) KDRHSD17B1HSD17B2ALDH1A1AR
SCHEMBL13036072 0.77 AR (0.48) AR
SCHEMBL23601697 0.77 PTPN5 (0.42) ALDH1A1AR
SCHEMBL2715216 0.76 L3MBTL1 (0.56) L3MBTL1CYP1A2SCN9AALDH1A1RECQL
SCHEMBL8265512 0.76 EGLN1 (0.51) KDRHSD17B1HSD17B2DGAT1
SCHEMBL17157315 0.75 CYP1A2 (0.53) L3MBTL1CYP1A2SCN9AALDH1A1RECQL
SCHEMBL16906666 0.73 AR (0.46) L3MBTL1ALDH1A1AR

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