SCHEMBL9411069

SCHEMBL9411069

CC(N[C@H](C(=O)NC(=O)Oc1ccccc1)C(C)C)c1cc2cc(Cl)ccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALOX5 P09917 1/20 0.41
CCR1 P32246 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
OGT O15294 1/20 0.38
MMP2 P08253 1/20 0.37
MAOB P27338 3/20 0.36
MMP12 P39900 2/20 0.36
MMP13 P45452 2/20 0.36
BCAT1 P54687 1/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
GPR35 Q9HC97 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
SCHEMBL9411036 0.85 ALOX5 (0.44) KMT2AMEN1ALOX5ALDH1A1HSD17B10
SCHEMBL8896913 0.85 MEN1 (0.45) KMT2AMEN1ALOX5CCR1ALDH1A1
SCHEMBL9411123 0.82 ALOX5 (0.41) KMT2AMEN1ALOX5ALDH1A1HSD17B10
SCHEMBL9411041 0.81 ALOX5 (0.43) KMT2AMEN1ALOX5ALDH1A1MMP2
SCHEMBL9411177 0.80 SMN1; SMN2 (0.42) KMT2AMEN1ALOX5ALDH1A1HSD17B10
SCHEMBL8498814 0.77 ALOX5 (0.56) KMT2AMEN1ALOX5ALDH1A1HSD17B10
SCHEMBL9411029 0.75 HSD17B10 (0.43) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL8060783 0.73 ALOX5 (0.46) KMT2AMEN1ALOX5ALDH1A1HSD17B10
SCHEMBL9411042 0.73 MAOB (0.36) KMT2AMEN1MAOBMMP12MMP13
SCHEMBL8896870 0.72 ALOX5 (0.45) KMT2AMEN1ALOX5ALDH1A1HSD17B10

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
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