SCHEMBL8896748

SCHEMBL8896748

CC(C)OC(=O)N[C@H](C(=O)NC(C)c1cc2cc(F)ccc2o1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34

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
SCHEMBL8896870 0.87 ALOX5 (0.45) MAOBMEN1KMT2ATAS1R3TAS1R1
SCHEMBL9411042 0.83 MAOB (0.36) MAOBMEN1KMT2A
SCHEMBL8896428 0.83 CA12 (0.45) MAOBMEN1KMT2A
SCHEMBL8500499 0.79 DPP4 (0.40) MAOBTAS1R3TAS1R1
SCHEMBL8060783 0.77 ALOX5 (0.46) MAOBMEN1KMT2ATAS1R3TAS1R1
SCHEMBL8896180 0.77
SCHEMBL8896522 0.77 TAS1R3 (0.44) MAOBMEN1KMT2ATAS1R3TAS1R1
SCHEMBL8897184 0.75
SCHEMBL8500496 0.74 MAOA (0.42) MAOBMEN1KMT2ATAS1R3TAS1R1
Benthiavalicarb-Isopropyl SCHEMBL122266 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587110-B1 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-12-17 EP claimed
EP-0587110-A2 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-03-16 EP claimed
EP-0587110-B1 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-12-17 EP disclosed
EP-0587110-A2 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-03-16 EP disclosed