SCHEMBL31389151

SCHEMBL31389151

CCOC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 2/20 0.51
HDAC8 Q9BY41 1/20 0.50
P2RY12 Q9H244 1/20 0.49
KMT2A Q03164 4/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 3/20 0.47

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
SCHEMBL25497204 1.00 RAB9A (0.53) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL15459287 0.86 ALDH1A1 (0.48) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL10020419 0.84 HDAC8 (0.49) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL15459285 0.83 HDAC8 (0.56) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL6313523 0.83 HDAC8 (0.56) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL6446563 0.83 HDAC8 (0.56) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL23722728 0.83 HDAC8 (0.56) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL12043742 0.81 HDAC8 (0.65) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL28678720 0.76 RAB9A (0.44) RAB9ANPC1ALDH1A1P2RY12KMT2A
SCHEMBL28678719 0.76 RAB9A (0.44) RAB9ANPC1ALDH1A1P2RY12KMT2A

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