SCHEMBL8607244

SCHEMBL8607244

CC(C)[C@H](NC(=O)OC1CCCCC1)C(=O)N[C@H](C)C(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
IDO1 P14902 2/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MCL1 Q07820 1/20 0.41
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PAX8 Q06710 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 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
SCHEMBL8771769 0.81 MMP2 (0.43) TSHRALDH1A1
SCHEMBL8607249 0.73 TSHR (0.37) EPHX1TSHRNPC1RAB9ACYP3A4
SCHEMBL8607282 0.72 MEN1 (0.45) MAPK1MEN1KMT2AMCL1RAB9A
SCHEMBL8607274 0.72 MEN1 (0.45) MAPK1MEN1KMT2AMCL1RAB9A
SCHEMBL8603179 0.71 MEN1 (0.49) IDO1TSHRMAPK1MEN1KMT2A
SCHEMBL8603174 0.71 MEN1 (0.49) IDO1TSHRMAPK1MEN1KMT2A
SCHEMBL8771762 0.71 MMP2 (0.40) MEN1KMT2ATP53
SCHEMBL9228051 0.70 MMP2 (0.43) TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL8771801 0.69 MMP2 (0.41) MEN1KMT2AALDH1A1
SCHEMBL25997248 0.69 MEN1 (0.48) IDO1MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811424-A CONTROL OF DOWNY MILDEW, LATE BLIGHT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-09-22 US disclosed
US-5723469-A Amino-acid amide derivatives, agricultural or horticultural fungicides, and method for producing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-03-03 US disclosed
EP-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed
US-5574064-A Amino-acid amide derivatives, agricultural or horticultural fungicides, and method for producing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-11-12 US disclosed
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed