SCHEMBL25955780

SCHEMBL25955780

Cc1ccc(C(c2ccc3c(c2)C(=O)OC3=O)(C(F)(F)F)C(F)(F)F)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.41
CA7 P43166 5/20 0.41
CA1 P00915 4/20 0.41
CA4 P22748 2/20 0.41
TAS2R14 Q9NYV8 2/20 0.39
CA2 P00918 2/20 0.37
CA9 Q16790 1/20 0.37
TYMS P04818 1/20 0.37
SORT1 Q99523 4/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
NOTUM Q6P988 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL25955781 0.91 CA12 (0.44) CA12CA7CA1CA4TAS2R14
SCHEMBL9505714 0.88 TYMS (0.42) CA12CA7CA1CA4CA2
SCHEMBL24595895 0.85 NOTUM (0.37) CA12CA7CA1CA4NOTUM
SCHEMBL15746903 0.85 TAS2R14 (0.46) TAS2R14SORT1RXRARXRBNOTUM
SCHEMBL22738051 0.84 CA12 (0.31) CA12CA7CA1CA4
SCHEMBL14412566 0.84 CA12 (0.38) CA12CA7CA1CA4CA2
SCHEMBL24788969 0.84 TYMS (0.39) CA12CA7CA1CA4CA2
SCHEMBL15887766 0.83 CA12 (0.41) CA12CA7CA1CA4CA2
SCHEMBL49774 0.82 ALOX15 (0.43) CA12CA7CA1CA4TYMS
Benzoic Acid SCHEMBL28332838 0.81 CA12 (0.42) CA12CA7CA1CA4CA2

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-2023145758-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING PHTHALIC ACID DERIVATIVE, AND COMPOSITION ダイキン工業株式会社 2023-08-03 WO disclosed