SCHEMBL31344537

SCHEMBL31344537

C/C=C(\C)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
FOLH1 Q04609 8/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL31344543 1.00 NAAA (0.48) NAAAFOLH1NPC1RAB9ADRD2
SCHEMBL31344545 0.91 CA1 (0.49) NAAAFOLH1NPC1RAB9ADRD2
SCHEMBL24732379 0.84 NAAA (0.54) NAAANPC1RAB9ADRD2DRD4
SCHEMBL31344554 0.84 KMT2A (0.40) FOLH1POLB
SCHEMBL31344529 0.83 EGFR (0.54) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL31344549 0.80 NPC1 (0.48) FOLH1NPC1RAB9AHDAC3HDAC1
SCHEMBL31344530 0.79 EGFR (0.48) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL19909787 0.78 FOLH1 (0.48) FOLH1
SCHEMBL31344527 0.78 CA1 (0.61) NAAAFOLH1NPC1RAB9ADRD2
SCHEMBL1396385 0.76 BCHE (0.48) NAAACA1CA2BCHEACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4716682-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2026-04-01 EP disclosed
WO-2024240579-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-11-28 WO disclosed