SCHEMBL17833332

SCHEMBL17833332

CC(C)C[C@@H](NCc1ccccc1)C(=O)N=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.52
ANPEP P15144 2/20 0.51
ALDH1A1 P00352 2/20 0.48
CTSK P43235 1/20 0.47
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
MME P08473 2/20 0.45
SIGMAR1 Q99720 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TMPRSS11D O60235 1/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL3451593 0.84 PSMB5 (0.57) PSMB5ANPEPALDH1A1CTSKMEN1
SCHEMBL3451636 0.84 PSMB5 (0.57) PSMB5ANPEPALDH1A1CTSKMEN1
SCHEMBL17833228 0.84 PSMB5 (0.57) PSMB5ANPEPALDH1A1CTSKMEN1
Hydrochloric Acid SCHEMBL9697985 0.83 PSMB5 (0.56) PSMB5ANPEPALDH1A1CTSKMEN1
Hydrochloric Acid SCHEMBL9696963 0.83 PSMB5 (0.56) PSMB5ANPEPALDH1A1CTSKMEN1
SCHEMBL1792753 0.81 PSMB5 (0.54) PSMB5ANPEPALDH1A1CTSKMEN1
SCHEMBL1792750 0.81 PSMB5 (0.54) PSMB5ANPEPALDH1A1CTSKMEN1
SCHEMBL7365655 0.80 ATM (0.54) PSMB5ANPEPALDH1A1CTSKMEN1
SCHEMBL19975277 0.80 ATM (0.54) PSMB5ANPEPALDH1A1CTSKMEN1
SCHEMBL6129757 0.80 ATM (0.54) PSMB5ANPEPALDH1A1CTSKMEN1

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-2016094702-A2 METHODS FOR MODULATING TASTE RECEPTORS MARS, INCORPORATED (US) 2016-06-16 WO disclosed