SCHEMBL28166342

SCHEMBL28166342

N#CCC(=O)c1ccc(CCC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
KEAP1 Q14145 1/20 0.50
FFAR4 Q5NUL3 3/20 0.49
SRD5A2 P31213 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL28165998 0.82 CA2 (0.48) FFAR1L3MBTL1SRD5A2CA2HSD17B10
SCHEMBL395103 0.81 GSK3B (0.48) L3MBTL1
SCHEMBL5793959 0.81 L3MBTL1 (0.57) L3MBTL1
SCHEMBL7825403 0.78 L3MBTL1 (0.62) FFAR1L3MBTL1KEAP1SRD5A2CA1
SCHEMBL11551946 0.78 FFAR1 (0.63) FFAR1KEAP1FFAR4CA1CA2
SCHEMBL11885806 0.78 PRSS1 (0.41) L3MBTL1CA1CA2
SCHEMBL14918493 0.77 TSHR (0.52) SRD5A2CA1CA2
Acetonitrile SCHEMBL28166106 0.77 FFAR1 (0.53) FFAR1L3MBTL1KEAP1FFAR4SRD5A2
SCHEMBL69746 0.77 FFAR1 (0.81) FFAR1L3MBTL1KEAP1FFAR4CA1
SCHEMBL135211 0.77 ALDH1A1 (0.53) L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107024834-B Compound and coloring composition 住友化学株式会社 2021-11-23 CN disclosed
CN-107586469-B Pigment composition, coloring composition, and coloring curable composition 住友化学株式会社 2021-04-06 CN disclosed
CN-107024834-A Compound and coloured composition 住友化学株式会社 2017-08-08 CN disclosed