SCHEMBL11201982

SCHEMBL11201982

CC(C)=CC1C(C)(C)C1(C)c1coc(Cc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL6908241 0.82 IDH1 (0.36) IDH1
SCHEMBL9489809 0.80 IDH1 (0.38) IDH1TDP1
SCHEMBL7536857 0.75 IDH1 (0.40) IDH1TDP1
SCHEMBL7916536 0.75 IDH1 (0.40) IDH1TDP1
SCHEMBL3513116 0.75 IDH1 (0.40) IDH1TDP1
SCHEMBL8321135 0.75 IDH1 (0.40) IDH1TDP1
SCHEMBL11528547 0.74 IDH1 (0.38) IDH1TDP1
SCHEMBL11529812 0.74 IDH1 (0.38) IDH1TDP1
SCHEMBL9489812 0.74 IDH1 (0.38) IDH1TDP1
SCHEMBL11048431 0.72 IDH1 (0.40) IDH1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0017810-B1 PESTICIDAL AGENTS CONTAINING SUBSTITUTED BENZAZOLES AND APPLICATION THEREOF BAYER AG (DE) 1983-06-29 EP disclosed
EP-0017810-A2 Pesticidal agents containing substituted benzazoles and application thereof BAYER AG (DE) 1980-10-29 EP disclosed