SCHEMBL31389155

SCHEMBL31389155

COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.60
RAB9A P51151 2/20 0.59
GAA P10253 1/20 0.59
ATM Q13315 2/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 3/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
THRB P10828 1/20 0.55
HSD17B10 Q99714 1/20 0.55
LMNA P02545 1/20 0.55
GLA P06280 1/20 0.55
USP30 Q70CQ3 1/20 0.54
POLB P06746 1/20 0.54
TACR3 P29371 1/20 0.54
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
PYGL P06737 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
NOS2 P35228 2/20 0.51

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
SCHEMBL25496515 1.00 PSMB5 (0.60) PSMB5RAB9AGAAATMNPC1
SCHEMBL9941415 0.88 PSMB5 (0.71) PSMB5ALDH1A1CYP2C9CYP2C19THRB
SCHEMBL9554481 0.86 PSMB5 (0.62) PSMB5USP30L3MBTL1CTSLKDM4E
SCHEMBL21623659 0.86 PSMB5 (0.62) PSMB5USP30L3MBTL1CTSLKDM4E
SCHEMBL3083268 0.86 CTSL (0.69) PSMB5RAB9AGAAATMNPC1
SCHEMBL2125371 0.86 CTSL (0.69) PSMB5RAB9AGAAATMNPC1
SCHEMBL7962262 0.86 PSMB5 (0.54) PSMB5RAB9AGAANPC1USP30
SCHEMBL12984285 0.85 SMN1; SMN2 (0.49) PSMB5RAB9AGAANPC1ALDH1A1
SCHEMBL25657551 0.85 SMN1; SMN2 (0.50) PSMB5RAB9AGAANPC1ALDH1A1
SCHEMBL25003560 0.84 PSMB5 (0.64) PSMB5ALDH1A1USP30CTSLKDM4E

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-20250024871-A1 AMIDE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH INCORPORATED (US) 2025-01-23 US disclosed