SCHEMBL11241256

SCHEMBL11241256

C=C(CC(C)c1ccc(-c2ccccc2)cc1)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
FFAR1 O14842 2/20 0.43
GRIA4 P48058 1/20 0.41
MMP12 P39900 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40

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
Acetic Acid SCHEMBL11241263 0.81 PTGS2 (0.51) PTGS2FFAR1GRIA4GAA
SCHEMBL11134856 0.79 PTGS2 (0.56) PTGS2FFAR1GRIA4MEN1KMT2A
SCHEMBL21237780 0.77 FFAR1 (0.67) PTGS2FFAR1GRIA4MMP12GAA
SCHEMBL7858991 0.77 FFAR1 (0.67) PTGS2FFAR1GRIA4MMP12GAA
SCHEMBL27901034 0.74 LTB4R (0.47) FFAR1CYP2C19
SCHEMBL21237726 0.74 PTGS2 (0.55) PTGS2FFAR1GRIA4MEN1KMT2A
SCHEMBL21237722 0.74 PTGS2 (0.55) PTGS2FFAR1GRIA4MEN1KMT2A
SCHEMBL11489425 0.74 PTGS2 (0.55) PTGS2FFAR1GRIA4GAA
SCHEMBL13140340 0.73 FFAR1 (0.56) PTGS2FFAR1MMP12ACACBACACA
SCHEMBL27841756 0.72 HPGD (0.44) FFAR1CYP2C19

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
US-4344966-A Anti-inflammatory 1-alkyl-1-phenyl-butanes SANDOZ, INC. (US) 1982-08-17 US disclosed
US-4081476-A ANTIINFLAMMATORY SANDOZ, INC. (US) 1978-03-28 US disclosed