SCHEMBL31604651

SCHEMBL31604651

O=C(NC1CCCCC1)c1coc(-c2cccc(O)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 6/20 0.63
MLLT3 P42568 3/20 0.63
S1PR1 P21453 1/20 0.51
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
KMT2A Q03164 3/20 0.50
PDE4B Q07343 2/20 0.50
CNR2 P34972 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MEN1 O00255 2/20 0.48
TYR P14679 1/20 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
SCHEMBL31604668 0.99 MLLT1 (0.64) MLLT1MLLT3S1PR1NPC1RAB9A
SCHEMBL31604680 0.87 HDAC1 (0.62) S1PR1NPC1RAB9AKMT2ACNR2
SCHEMBL31604701 0.85 NPC1 (0.60) MLLT1S1PR1NPC1RAB9AKMT2A
SCHEMBL31604700 0.85 HDAC1 (0.63) S1PR1NPC1RAB9AKMT2AHDAC1
SCHEMBL31604703 0.84 TRPV1 (0.52) MLLT1MLLT3S1PR1NPC1RAB9A
SCHEMBL31604637 0.84 NPC1 (0.67) NPC1RAB9AKMT2APDE4BHDAC1
SCHEMBL31604711 0.84 MLLT1 (0.60) MLLT1MLLT3NPC1RAB9AKMT2A
SCHEMBL31604677 0.83 TRPV1 (0.53) MLLT1MLLT3S1PR1NPC1RAB9A
SCHEMBL31604659 0.83 ALDH1A1 (0.67) NPC1RAB9AKMT2APDE4BHDAC1
SCHEMBL31604636 0.80 HPGD (0.52) MLLT1S1PR1NPC1RAB9AKMT2A

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-2025110621-A1 NOVEL OXAZOLE-BASED COMPOUND AND COMPOSITION FOR PREVENTING, ALLEVIATING, OR TREATING INFLAMMATORY DISEASES COMPRISING SAME 고려대학교 세종산학협력단 2025-05-30 WO disclosed