SCHEMBL9345926

SCHEMBL9345926

CC(=O)c1ccc(CCC(=O)O)cc1C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.50
KEAP1 Q14145 1/20 0.48
HSD17B10 Q99714 1/20 0.47
FFAR4 Q5NUL3 4/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
PTPRB P23467 1/20 0.44
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44
PTEN P60484 1/20 0.44
PTPMT1 Q8WUK0 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL12238291 0.84 FFAR1 (0.47) FFAR1KEAP1HSD17B10FFAR4RXRA
SCHEMBL12238289 0.84 ALDH1A1 (0.50) FFAR1KEAP1HSD17B10FFAR4RXRA
SCHEMBL9350096 0.84 MAOA (0.38) FFAR1HSD17B10LMNA
SCHEMBL2327477 0.83 FFAR1 (0.46) FFAR1KEAP1HSD17B10FFAR4RXRA
SCHEMBL2325359 0.83 ALDH1A1 (0.49) FFAR1KEAP1HSD17B10FFAR4RXRA
SCHEMBL23935757 0.82 ALOX5 (0.54) FFAR1FFAR4
SCHEMBL23935649 0.82 PPARA (0.57) FFAR1FFAR4
SCHEMBL28249954 0.81 KDM4E (0.45) CA1CA2
SCHEMBL30744070 0.81 KDM4E (0.45) CA1CA2
SCHEMBL9080306 0.81 FFAR1 (0.53) FFAR1KEAP1FFAR4RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112409974-A Amphiphilic bio-based degradable underwater adhesive and preparation method and application thereof 江南大学 2021-02-26 CN claimed
CN-112409974-B Amphiphilic bio-based degradable underwater adhesive and preparation method and application thereof 江南大学 2021-12-21 CN disclosed
CN-112409974-A Amphiphilic bio-based degradable underwater adhesive and preparation method and application thereof 江南大学 2021-02-26 CN disclosed
EP-0333522-B1 Catechol derivatives and pharmaceutical preparations containing same MITSUI TOATSU CHEMICALS (JP) 1994-08-17 EP disclosed
US-5232923-A Stimulates production of nerve growth factor; administering for treatment of regressive disorders of the central nervous system MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-08-03 US disclosed
EP-0333522-A2 Catechol derivatives and pharmaceutical preparations containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-09-20 EP disclosed