SCHEMBL7523155

SCHEMBL7523155

Cc1ccc(C(C=C(F)F)CC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.44
STAT3 P40763 1/20 0.41
ACHE P22303 1/20 0.40
CYP26A1 O43174 2/20 0.38
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.37
CTSA P10619 1/20 0.37
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35

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
SCHEMBL7521043 0.83 FFAR1 (0.44) FFAR1STAT3ACHECYP26A1CYP2C19
SCHEMBL15426947 0.79 FFAR1 (0.56) FFAR1STAT3ACHECYP26A1CYP2C19
SCHEMBL10908214 0.74 FFAR1 (0.54) FFAR1STAT3ACHECYP26A1CYP2C19
SCHEMBL3880133 0.72 FFAR1 (0.59) FFAR1STAT3CYP2C19KDM4EALDH1A1
SCHEMBL3663042 0.72 FFAR1 (0.59) FFAR1STAT3CYP2C19KDM4EALDH1A1
SCHEMBL3665015 0.72 FFAR1 (0.59) FFAR1STAT3CYP2C19KDM4EALDH1A1
SCHEMBL2223571 0.72 FNTA (0.54) FFAR1STAT3ACHECYP26A1CYP2C19
SCHEMBL7525271 0.71 FFAR1 (0.33) FFAR1CYP2C19CTSAKMT2ALMNA
SCHEMBL25152959 0.71 ACHE (0.67) FFAR1STAT3ACHECYP26A1CYP2C19
SCHEMBL7559049 0.71 ACHE (0.67) FFAR1STAT3ACHECYP26A1CYP2C19

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-1181267-A1 HALOGEN COMPOUNDS Bayer Aktiengesellschaft (DE) 2002-02-27 EP disclosed
WO-2000071500-A1 HALOGEN COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2000-11-30 WO disclosed