SCHEMBL21389151

SCHEMBL21389151

CC(=O)N(C)CCNC(=O)CSCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
HIF1A Q16665 1/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
FABP4 P15090 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.33
ACKR3 P25106 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DNM1 Q05193 1/20 0.33
FABP3 P05413 1/20 0.32

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
SCHEMBL21389247 0.77 TSHR (0.48) CYP2D6HIF1AGAAKDM4EL3MBTL1
SCHEMBL6753707 0.74 MEN1 (0.52) MEN1KMT2ADNM1
SCHEMBL8480919 0.74 ADRA1A (0.48) CYP2D6HIF1AGAAKDM4EL3MBTL1
SCHEMBL15292955 0.72 KDM4E (0.48) HIF1AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12522966 0.72 DNM1 (0.43) HIF1AGAAKDM4EALDH1A1LMNA
SCHEMBL21389172 0.71 DNM1 (0.31) DNM1
SCHEMBL24795949 0.71 CYP2D6 (0.50) CYP2D6HIF1AGAAKDM4EL3MBTL1
SCHEMBL25935846 0.70 CYP2D6 (0.55) CYP2D6HIF1AGAAKDM4EL3MBTL1
SCHEMBL13075426 0.69 DNM1 (0.62) ALDH1A1DNM1
SCHEMBL21558203 0.68

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
WO-2019183577-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed