SCHEMBL9477010

SCHEMBL9477010

[CH2][n+]1ccc(CCC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.59
FFAR1 O14842 14/20 0.55
FFAR4 Q5NUL3 4/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 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
SCHEMBL9478238 0.82 CAPN1 (0.47) KEAP1FFAR1CA1CA2HDAC2
SCHEMBL69746 0.79 FFAR1 (0.81) KEAP1FFAR1FFAR4CA1CA2
SCHEMBL6132102 0.79 KEAP1 (0.59) KEAP1FFAR1FFAR4CA1CA2
SCHEMBL9479945 0.77 KEAP1 (0.57) KEAP1FFAR1FFAR4CA1CA2
Hydrochloric Acid SCHEMBL25264643 0.77 FFAR1 (0.77) KEAP1FFAR1FFAR4CA1CA2
Phenyl Propionic Acid SCHEMBL28098279 0.76 KEAP1 (0.91) KEAP1FFAR1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL27365584 0.76 KEAP1 (0.91) KEAP1FFAR1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL29619843 0.75 KEAP1 (1.00) KEAP1FFAR1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL13618844 0.75 KEAP1 (1.00) KEAP1FFAR1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL3419 0.75 KEAP1 (1.00) KEAP1FFAR1FFAR4HDAC3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0346465-B1 1-CARBOXY-1-VYNILOXYIMINOAMINOTHIAZOLE CEPHALOSPORING DERIVATIVES AND PROCESS FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed
US-5225406-A Antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
US-5084453-A Antibiotics, bactericides BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-01-28 US disclosed
EP-0346465-A1 1-CARBOXY-1-VYNILOXYIMINOAMINOTHIAZOLE CEPHALOSPORING DERIVATIVES AND PROCESS FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-12-20 EP disclosed