SCHEMBL31750436

SCHEMBL31750436

O=C(O)CCc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.54
FFAR4 Q5NUL3 5/20 0.51
ALDH1A1 P00352 2/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.46
FFAR2 O15552 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KMO O15229 1/20 0.44
KCNJ5 P48544 1/20 0.43
KCNJ3 P48549 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
TRAP1 Q12931 1/20 0.43
MAPT P10636 1/20 0.43

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
Hydrochloric Acid SCHEMBL34474962 0.98 FFAR1 (0.53) FFAR1FFAR4ALDH1A1PTGDR2FFAR2
Trifluoroacetic Acid SCHEMBL34475312 0.97 FFAR1 (0.52) FFAR1FFAR4ALDH1A1PTGDR2FFAR2
SCHEMBL27643679 0.89 ALDH1A1 (0.45) FFAR1FFAR4ALDH1A1HDAC1HDAC8
SCHEMBL4007916 0.87 FFAR1 (0.58) FFAR1FFAR4ALDH1A1PTGDR2KMO
SCHEMBL30201250 0.83 ALDH1A1 (0.52) FFAR1FFAR4ALDH1A1MEN1KMT2A
SCHEMBL1775542 0.83 ALDH1A1 (0.52) FFAR1FFAR4ALDH1A1MEN1KMT2A
SCHEMBL10518526 0.83 FFAR1 (0.74) FFAR1FFAR4MEN1KMT2A
SCHEMBL34475543 0.82 CES2 (0.50) FFAR1FFAR4PTGDR2FFAR2KMO
SCHEMBL30151142 0.82 IDO1 (0.49) FFAR1FFAR4PTGDR2FFAR2KMO
SCHEMBL1207452 0.82 CES2 (0.50) FFAR1FFAR4PTGDR2FFAR2KMO

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
WO-2026087635-A1 DIHYDRO BENZOXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2026-04-30 WO disclosed
WO-2025262003-A1 DIHYDRO BENZOXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-12-26 WO disclosed