SCHEMBL31072829

SCHEMBL31072829

CC(=O)c1cc(F)cc(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.44
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CA5A P35218 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CTSD P07339 1/20 0.38
BACE1 P56817 1/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RXRA P19793 3/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 3/20 0.38
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
NPC1 O15118 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2776048 0.85 GABRA1 (0.50) ACHECES2CA5AMEN1MAPT
SCHEMBL1204142 0.85 CA5A (0.48) ACHECA5AMEN1MAPTKMT2A
SCHEMBL17896562 0.84 HCAR1 (0.53) ACHECES2CES1SLC6A3MAPT
SCHEMBL1198922 0.84 CES2 (0.52) CES2CES1CA5ARXRARXRB
SCHEMBL9967857 0.82 PARP1 (0.46) ACHECES2CES1SLC6A3MEN1
SCHEMBL319123 0.80 CES2 (0.62) CES2CES1CA5ASLC6A3MAPT
SCHEMBL12187542 0.80 CES2 (0.57) ACHECES2CA5AMAPTRXRA
SCHEMBL27186673 0.78 RXRA (0.38) ACHECES2CES1CA5ASLC6A3
SCHEMBL29799778 0.78 RXRA (0.38) ACHECES2CES1CA5ASLC6A3
SCHEMBL16261236 0.78 RXRA (0.50) ACHECA5AMEN1MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4648762-A2 PPARG MODULATORS University of Florida Research Foundation, Incorporated (US) 2025-11-19 EP disclosed
WO-2024151519-A2 PPARG MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATIN, INCORPORATED (US) 2024-07-18 WO disclosed