SCHEMBL11265440

SCHEMBL11265440

CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)n1)C(C)C=C(F)F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B14 Q9BPX1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARG P37231 3/20 0.31
ADAMTS4 O75173 1/20 0.31

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
SCHEMBL11276228 0.91 P2RX3 (0.34) L3MBTL1
SCHEMBL11277961 0.91 ALDH1A1 (0.38) ALDH1A1TDP1HSD17B14L3MBTL1PPARG
SCHEMBL11264917 0.85 ALDH1A1 (0.37) ALDH1A1TDP1L3MBTL1PPARG
SCHEMBL11267736 0.85 SCN9A (0.33) ALDH1A1TDP1L3MBTL1PPARG
SCHEMBL11279077 0.84 ALDH1A1 (0.36) ALDH1A1TDP1L3MBTL1PPARGADAMTS4
SCHEMBL11275388 0.83 P2RX3 (0.32) ALDH1A1TDP1L3MBTL1PPARGADAMTS4
SCHEMBL11273038 0.83 L3MBTL1 (0.33) ALDH1A1TDP1L3MBTL1
SCHEMBL11279263 0.83 P2RX3 (0.33) ALDH1A1TDP1L3MBTL1
SCHEMBL11073039 0.82 TARS1 (0.36) ALDH1A1TDP1HSD17B14L3MBTL1
SCHEMBL11280511 0.82 ADAMTS4 (0.34) ALDH1A1TDP1L3MBTL1ADAMTS4

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-4338326-A PESTICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed