SCHEMBL9489348

SCHEMBL9489348

O=CNc1ccc(CCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.56
FFAR4 Q5NUL3 3/20 0.56
KEAP1 Q14145 1/20 0.53
NR1H4 Q96RI1 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL13222535 0.89 SMN1; SMN2 (0.56) FFAR1FFAR4NR1H4ALDH1A1
SCHEMBL8881437 0.84 ALDH1A1 (0.53) FFAR1FFAR4NR1H4ALDH1A1
SCHEMBL693471 0.81 CA2 (0.52) FFAR1NR1H4ALDH1A1CA2
SCHEMBL5652618 0.80 FFAR1 (0.63) FFAR1FFAR4KEAP1NR1H4ALDH1A1
SCHEMBL6018830 0.80 FFAR1 (0.56) FFAR1FFAR4KEAP1ALDH1A1
SCHEMBL69746 0.79 FFAR1 (0.81) FFAR1FFAR4KEAP1CA1CA2
SCHEMBL5914621 0.79 CA2 (0.46) ALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL25264643 0.77 FFAR1 (0.77) FFAR1FFAR4KEAP1CA1CA2
SCHEMBL8915282 0.77 FFAR1 (0.60) FFAR1FFAR4KEAP1NR1H4ALDH1A1
SCHEMBL7479986 0.77 FFAR1 (0.60) FFAR1FFAR4KEAP1NR1H4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5238909-A For preemergence or postemergence use EASTMAN KODAK COMPANY (US) 1993-08-24 US claimed
EP-0476760-A2 4-substituted isoxazole herbicides EASTMAN KODAK COMPANY (US) 1992-03-25 EP claimed
WO-2017192841-A1 METHODS OF TREATMENT AND COMBINATION THERAPIES USING GCASE ACTIVATOR HETEROBICYCLIC AND RELATED COMPOUNDS LYSOSOMAL THERAPEUTICS INC. (US) 2017-11-09 WO disclosed
US-5238909-A For preemergence or postemergence use EASTMAN KODAK COMPANY (US) 1993-08-24 US disclosed
EP-0476760-A2 4-substituted isoxazole herbicides EASTMAN KODAK COMPANY (US) 1992-03-25 EP disclosed