SCHEMBL9729674

SCHEMBL9729674

CO[C](C)Cc1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
MAOB P27338 1/20 0.45
P2RX7 Q99572 4/20 0.41
MAPK8 P45983 1/20 0.40
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GSK3B P49841 1/20 0.38
BACE1 P56817 1/20 0.38
RIPK1 Q13546 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL9730240 0.82 ERCC1 (0.40) ALDH1A1
SCHEMBL434355 0.80 IDO1 (0.48) IDO1AGXTMAOBP2RX7MAPK8
SCHEMBL29836179 0.80 SMN1; SMN2 (0.48) IDO1AGXTMAOBP2RX7MAPK8
SCHEMBL3967997 0.80 SMN1; SMN2 (0.48) IDO1AGXTMAOBP2RX7MAPK8
SCHEMBL4659435 0.78 IDO1 (0.43) IDO1AGXTMAOBP2RX7MAPK8
SCHEMBL1699443 0.77 MAOB (0.51) IDO1AGXTMAOBP2RX7MAPK8
SCHEMBL15778100 0.76 IDO1 (0.46) IDO1AGXTMAOBP2RX7MAPK8
SCHEMBL20696508 0.74 MAOB (0.46) IDO1AGXTMAOBP2RX7MAPK8
SCHEMBL13329783 0.73 MAPK8 (0.52) IDO1AGXTMAOBP2RX7MAPK8
SCHEMBL1288294 0.72 IDO1 (0.48) IDO1AGXTMAOBP2RX7MAPK8

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-5171354-A Herbicides CIBA-GEIGY CORPORATION (US) 1992-12-15 US disclosed