SCHEMBL22749066

SCHEMBL22749066

CCCCCCCCCCCCCCC#Cc1cc(F)c(C(=O)O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.54
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MMP2 P08253 1/20 0.43
MMP12 P39900 1/20 0.43
PTPN7 P35236 4/20 0.40
HMGCR P04035 2/20 0.40
RARB P10826 2/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
KCNH2 Q12809 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL22748696 1.00 GPR84 (0.54) GPR84FFAR1FFAR4MMP2MMP12
SCHEMBL22748304 1.00 GPR84 (0.54) GPR84FFAR1FFAR4MMP2MMP12
SCHEMBL22748622 1.00 GPR84 (0.54) GPR84FFAR1FFAR4MMP2MMP12
SCHEMBL22748441 1.00 GPR84 (0.54) GPR84FFAR1FFAR4MMP2MMP12
SCHEMBL22748373 0.85 GPR84 (0.50) GPR84FFAR1FFAR4MMP2MMP12
SCHEMBL22748766 0.85 GPR84 (0.50) GPR84FFAR1FFAR4MMP2MMP12
SCHEMBL22748419 0.85 GPR84 (0.50) GPR84FFAR1FFAR4MMP2MMP12
SCHEMBL22748449 0.85 GPR84 (0.50) GPR84FFAR1FFAR4MMP2MMP12
SCHEMBL22748342 0.85 GPR84 (0.50) GPR84FFAR1FFAR4MMP2MMP12
SCHEMBL22748760 0.81 GPR84 (0.46) GPR84FFAR1FFAR4MMP2MMP12

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-2020245297-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2020-12-10 WO disclosed