SCHEMBL31444848

SCHEMBL31444848

COc1ncc(F)cc1C(C)(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
AGBL2 Q5U5Z8 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
SLC13A5 Q86YT5 2/20 0.36
SLC13A2 Q13183 1/20 0.36
SLC13A3 Q8WWT9 1/20 0.36
PTGER4 P35408 2/20 0.36
POLQ O75417 1/20 0.34
SSTR4 P31391 3/20 0.34
HCAR2 Q8TDS4 1/20 0.32
SQOR Q9Y6N5 1/20 0.32
MAP3K5 Q99683 1/20 0.31
SCN9A Q15858 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
MAP3K14 Q99558 2/20 0.31

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
SCHEMBL18501252 0.80 ALOX5AP (0.35) PIK3CAGPBAR1POLQSSTR4SQOR
SCHEMBL15204584 0.78 AGBL2 (0.38) GPBAR1AGBL2AKR1C3AKR1C2PTGER4
SCHEMBL31445203 0.78 AGBL2 (0.38) GPBAR1AGBL2AKR1C3AKR1C2PTGER4
SCHEMBL30082715 0.73 POLB (0.42) GPBAR1AGBL2PTGER4POLQHCAR2
SCHEMBL1881949 0.73 POLB (0.42) GPBAR1AGBL2PTGER4POLQHCAR2
SCHEMBL38655455 0.72 NNMT (0.40) AKR1C3AKR1C2SLC22A12
SCHEMBL31445827 0.71 NR3C2 (0.49)
SCHEMBL31444773 0.70 AGBL2 (0.40) AGBL2AKR1C3AKR1C2PTGER4SSTR4
SCHEMBL2589049 0.70 POLQ (0.39) GPBAR1AGBL2PTGER4POLQMAP3K5
SCHEMBL16703963 0.70 POLQ (0.42) PIK3CAGPBAR1AGBL2POLQSSTR4

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-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed