SCHEMBL8896870

SCHEMBL8896870

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAOB P27338 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
MMP2 P08253 1/20 0.39
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
GPR35 Q9HC97 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FFAR2 O15552 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
SCHEMBL8060783 0.91 ALOX5 (0.46) ALOX5MEN1KMT2AMAOBTAS1R3
SCHEMBL8896522 0.89 TAS1R3 (0.44) ALOX5MEN1KMT2AMAOBTAS1R3
SCHEMBL8896748 0.87 MAOB (0.37) MEN1KMT2AMAOBTAS1R3TAS1R1
SCHEMBL8896913 0.85 MEN1 (0.45) ALOX5MEN1KMT2AMAOBTAS1R3
SCHEMBL9411036 0.83 ALOX5 (0.44) ALOX5MEN1KMT2AMAOBTAS1R3
SCHEMBL8896194 0.83 ALOX5 (0.40) ALOX5MEN1KMT2AMAOBTAS1R3
SCHEMBL8896428 0.83 CA12 (0.45) MEN1KMT2AMAOBMMP2SMN1; SMN2
SCHEMBL8498815 0.79 ALOX5 (0.53) ALOX5MEN1KMT2AMAOBTAS1R3
SCHEMBL8897177 0.78 KMT2A (0.45) ALOX5MEN1KMT2AMAOBTAS1R3
Hydrochloric Acid SCHEMBL8897585 0.78 ALOX5 (0.52) ALOX5MEN1KMT2AMAOBTAS1R3

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