SCHEMBL10458644

SCHEMBL10458644

COc1cccc(COCCF)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
AGXT P21549 2/20 0.59
MAOB P27338 7/20 0.55
TAAR1 Q96RJ0 3/20 0.54
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
ABCB1 P08183 1/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
APP P05067 2/20 0.46
CMA1 P23946 1/20 0.46

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
SCHEMBL2970007 0.86 IDO1 (0.59) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL3768643 0.85 IDO1 (0.71) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL19049283 0.84 IDO1 (0.61) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL2091873 0.84 IDO1 (0.61) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL2956211 0.83 IDO1 (0.59) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL28382952 0.82 IDO1 (0.68) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL7558489 0.82 IDO1 (0.54) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL23640522 0.81 IDO1 (0.57) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL4734636 0.81 IDO1 (0.57) IDO1AGXTMAOBTAAR1
SCHEMBL12093572 0.80 IDO1 (0.65) IDO1AGXTMAOBTAAR1CHRM2

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-4960884-A Insecticides, nematocides, pesticides and miticides FMC CORPORATION (US) 1990-10-02 US claimed