SCHEMBL5652618

SCHEMBL5652618

O=C(O)CCc1ccc(Nc2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.63
FFAR4 Q5NUL3 4/20 0.62
KEAP1 Q14145 1/20 0.61
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL9425104 0.94 FFAR1 (0.69) FFAR1FFAR4KEAP1
SCHEMBL69746 0.86 FFAR1 (0.81) FFAR1FFAR4KEAP1CA1CA2
SCHEMBL4883797 0.85 FFAR1 (0.54) FFAR1FFAR4ALDH1A1
Hydrochloric Acid SCHEMBL25264643 0.84 FFAR1 (0.77) FFAR1FFAR4KEAP1CA1CA2
SCHEMBL8915282 0.83 FFAR1 (0.60) FFAR1FFAR4KEAP1CA1CA2
SCHEMBL13125526 0.83 FFAR1 (0.60) FFAR1FFAR4KEAP1CA1CA2
SCHEMBL7479986 0.83 FFAR1 (0.60) FFAR1FFAR4KEAP1CA1CA2
SCHEMBL3131825 0.83 FFAR1 (0.59) FFAR1FFAR4KEAP1CA1CA2
Hydrochloric Acid SCHEMBL3117172 0.82 FFAR1 (0.57) FFAR1FFAR4KEAP1CA1CA2
SCHEMBL27581014 0.81 FFAR1 (0.59) FFAR1FFAR4KEAP1NR1H4

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
US-20070167544-A1 Ignition resistant polycarbonate polyester composition GENERAL ELECTRIC COMPANY 2007-07-19 US disclosed