SCHEMBL14418971

SCHEMBL14418971

Cc1cccc(C#C/C=C/C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.49
GRM5 P41594 5/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HCAR2 Q8TDS4 2/20 0.41
EGLN1 Q9GZT9 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL28593056 0.83 GRM5 (0.56) FFAR1GRM5CYP1A2CYP3A4FFAR4
SCHEMBL1232576 0.80 FFAR1 (0.58) FFAR1FFAR4ALDH1A1MEN1THRB
SCHEMBL1232570 0.80 FFAR1 (0.58) FFAR1FFAR4ALDH1A1MEN1THRB
SCHEMBL3887442 0.80 FFAR1 (0.58) FFAR1FFAR4ALDH1A1MEN1THRB
SCHEMBL138849 0.77 GRM5 (0.50) FFAR1GRM5CYP1A2CYP3A4FFAR4
SCHEMBL28580421 0.75 GRM5 (0.45) FFAR1GRM5CYP1A2CYP3A4FFAR4
SCHEMBL5380220 0.75 FFAR1 (0.54) FFAR1GRM5FFAR4EGLN1
SCHEMBL1662176 0.75 CSNK2A1 (0.47) MAPTKMT2A
SCHEMBL1662174 0.75 CSNK2A1 (0.47) MAPTKMT2A
SCHEMBL8296811 0.75 HDAC8 (0.60) ALDH1A1MEN1THRBKMT2AHDAC8

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
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 US disclosed