SCHEMBL25435378

SCHEMBL25435378

COCOc1cc(C2CC(=O)c3ccccc3O2)cc(OCOC)c1OCOC

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MAPT P10636 2/20 0.56
CYP19A1 P11511 4/20 0.56
ADORA3 P0DMS8 2/20 0.56
AR P10275 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
ROR1 Q01973 1/20 0.49
ABCB1 P08183 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49

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
SCHEMBL25437506 0.82 MAOB (0.74) MAOBNPC1RAB9AMAPTCYP19A1
SCHEMBL4444327 0.80 CYP19A1 (0.57) MAOBNPC1RAB9AMAPTCYP19A1
SCHEMBL4444338 0.80 CYP19A1 (0.57) MAOBNPC1RAB9AMAPTCYP19A1
Flavanone SCHEMBL27610364 0.77 MAOB (0.87) MAOBNPC1RAB9AMAPTCYP19A1
SCHEMBL5084437 0.74 PTPN1 (0.77) MAOBNPC1RAB9AMAPTCYP19A1
SCHEMBL5084433 0.74 PTPN1 (0.77) MAOBNPC1RAB9AMAPTCYP19A1
SCHEMBL13708477 0.74 ROR1 (0.82) MAOBNPC1RAB9ACYP19A1AR
Flavanone SCHEMBL12189591 0.73 MAOB (1.00) MAOBNPC1RAB9AMAPTCYP19A1
Flavanone SCHEMBL19745 0.73 MAOB (1.00) MAOBNPC1RAB9AMAPTCYP19A1
Flavanone SCHEMBL29470801 0.73 MAOB (1.00) MAOBNPC1RAB9AMAPTCYP19A1

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-4448506-A1 FLAVANONE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS Firmenich Incorporated (US) 2024-10-23 EP disclosed
WO-2023172394-A1 FLAVANONE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH INCORPORATED (US) 2023-09-14 WO disclosed