SCHEMBL31445827

SCHEMBL31445827

COc1ccc(F)cc1C(C)(C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 9/20 0.49
NR3C1 P04150 16/20 0.48
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL17420552 0.83 NR3C2 (0.49) NR3C2NR3C1LMNAMAPK1HTT
SCHEMBL31520325 0.81 ALDH1A1 (0.51) KDM4ELMNAMAPK1HTT
SCHEMBL21872367 0.80 PTGDR2 (0.51) KDM4ELMNAMAPK1
SCHEMBL4309317 0.79 NR3C2 (0.54) NR3C2NR3C1
SCHEMBL25262844 0.79 CES2 (0.44)
SCHEMBL17102000 0.79 KMT2A (0.49) KDM4ELMNAHTTRAB9A
SCHEMBL278306 0.78 NR3C2 (0.49) NR3C2NR3C1KDM4ELMNA
SCHEMBL1634784 0.78 NR3C2 (0.53) NR3C2NR3C1
SCHEMBL3889197 0.77 NR3C2 (0.53) NR3C2NR3C1
SCHEMBL1775018 0.76 NR3C1 (0.67) NR3C2NR3C1

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