SCHEMBL11271091

SCHEMBL11271091

CC1C(C)(C)[C@@]1(C)C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B14 Q9BPX1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F2 P00734 2/20 0.31
F10 P00742 2/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL11351416 0.85 ALDH1A1 (0.44) ALDH1A1TDP1HSD17B14L3MBTL1F2
SCHEMBL9789540 0.80 ALDH1A1 (0.40) ALDH1A1TDP1HSD17B14
SCHEMBL11355103 0.77 ALDH1A1 (0.37) ALDH1A1TDP1L3MBTL1ATM
SCHEMBL29391915 0.76 TDP1 (0.69) ALDH1A1TDP1L3MBTL1ATM
SCHEMBL11268455 0.76 TDP1 (0.69) ALDH1A1TDP1L3MBTL1ATM
SCHEMBL118147 0.76 TDP1 (0.69) ALDH1A1TDP1L3MBTL1ATM
SCHEMBL11270951 0.76 TDP1 (0.69) ALDH1A1TDP1L3MBTL1ATM
SCHEMBL11073039 0.76 TARS1 (0.36) ALDH1A1TDP1HSD17B14L3MBTL1F2
SCHEMBL11495109 0.76 ALDH1A1 (0.38) ALDH1A1TDP1L3MBTL1
SCHEMBL11492087 0.76 ALDH1A1 (0.36) ALDH1A1TDP1L3MBTL1

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-4357335-A Substituted pyridine methyl esters of dimethyl cyclopropane carboxylic acids and their use as insecticides ROUSSEL UCLAF (FR) 1982-11-02 US disclosed