SCHEMBL9358917

SCHEMBL9358917

O=C(O)/C(CCc1ccccc1)=C(\Cc1ccccc1Br)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.49
FFAR4 Q5NUL3 2/20 0.49
KEAP1 Q14145 1/20 0.46
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
ALDH1A1 P00352 4/20 0.43
HDAC1 Q13547 4/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NLRP3 Q96P20 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.40
MAPK1 P28482 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
SCHEMBL9359428 1.00 FFAR1 (0.49) FFAR1FFAR4KEAP1HDAC2HDAC8
SCHEMBL9064385 0.87 ALDH1A1 (0.45) FFAR1FFAR4ALDH1A1CA12CA1
SCHEMBL9064382 0.87 ALDH1A1 (0.45) FFAR1FFAR4ALDH1A1CA12CA1
SCHEMBL9064608 0.87 ALDH1A1 (0.45) FFAR1FFAR4ALDH1A1CA12CA1
SCHEMBL10193598 0.81 KEAP1 (0.57) FFAR1KEAP1HDAC2HDAC8HDAC6
SCHEMBL9358946 0.81 CTBP2 (0.50) FFAR1KEAP1ALDH1A1MEN1KMT2A
SCHEMBL9358932 0.81 CTBP2 (0.50) FFAR1KEAP1ALDH1A1MEN1KMT2A
SCHEMBL10193600 0.81 KEAP1 (0.67) FFAR1KEAP1HDAC2HDAC8HDAC6
SCHEMBL9860389 0.81 KEAP1 (0.67) FFAR1KEAP1HDAC2HDAC8HDAC6
SCHEMBL9860381 0.81 KEAP1 (0.67) FFAR1KEAP1HDAC2HDAC8HDAC6

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
EP-0242618-B1 Transparent optical article and process for preparing same NIPPON OILS & FATS CO LTD (JP) 1994-11-02 EP claimed