SCHEMBL9181727

SCHEMBL9181727

CCC(C)OC(=O)N[C@H](C(=O)N(CC)c1ccc(C)cc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MLYCD O95822 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 2/20 0.34
CTSK P43235 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CNR1 P21554 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL9180314 0.90 MLYCD (0.38) MEN1KMT2AMLYCDKDM4EALDH1A1
SCHEMBL9175496 0.89 MLYCD (0.36) MEN1KMT2AMLYCDKDM4EALDH1A1
SCHEMBL9178876 0.89 CYP3A4 (0.40) KMT2AMLYCDKDM4EALDH1A1CNR2
SCHEMBL9178078 0.88 MEN1 (0.39) MEN1KMT2AMLYCDALDH1A1SMN1; SMN2
SCHEMBL9178095 0.79 MLYCD (0.37) MEN1KMT2AMLYCDKDM4EALDH1A1
SCHEMBL9175837 0.79 CYP3A4 (0.42) MEN1KMT2AMLYCDKDM4EALDH1A1
SCHEMBL8968185 0.79 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8898121 0.78 SMN1; SMN2 (0.47) MEN1KMT2AMLYCDALDH1A1SMN1; SMN2
SCHEMBL9180319 0.76 ALDH1A1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL9181730 0.72 KMT2A (0.52) MEN1KMT2ACTSLCTSBLMNA

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-5453531-A Insecticides, fungicides for plants BAYER AKTIENGESELLSCHAFT (DE) 1995-09-26 US claimed