SCHEMBL10496331

SCHEMBL10496331

CC(C)=CCC/C(C)=C/CC1=C(C)C(=O)C(C)=C(C)C1=O

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.77
LMNA P02545 1/20 0.69
PTGS1 P23219 3/20 0.68
PGR P06401 1/20 0.68
HTR1A P08908 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
MAPT P10636 1/20 0.68
PDE4A P27815 1/20 0.68
MAPK1 P28482 1/20 0.68
DRD3 P35462 1/20 0.68
SNCA P37840 1/20 0.68
PDE3A Q14432 1/20 0.68
ALOX15 P16050 3/20 0.60
ALOX5 P09917 9/20 0.55
KMT2A Q03164 1/20 0.47
PPARG P37231 1/20 0.46
PTPN1 P18031 1/20 0.45
BACE1 P56817 1/20 0.45

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
SCHEMBL10496333 1.00 MAOB (0.77) MAOBLMNAPTGS1PGRHTR1A
SCHEMBL11487513 0.98 MAOB (0.78) MAOBLMNAPTGS1PGRHTR1A
SCHEMBL27414811 0.98 MAOB (0.78) MAOBLMNAPTGS1PGRHTR1A
SCHEMBL1187847 0.98 MAOB (0.78) MAOBLMNAPTGS1PGRHTR1A
SCHEMBL1187846 0.98 MAOB (0.78) MAOBLMNAPTGS1PGRHTR1A
SCHEMBL27160517 0.98 MAOB (0.78) MAOBLMNAPTGS1PGRHTR1A
SCHEMBL27160617 0.98 MAOB (0.78) MAOBLMNAPTGS1PGRHTR1A
SCHEMBL10312242 0.89 MAOB (0.71) MAOBLMNAPTGS1PGRHTR1A
SCHEMBL12540151 0.88 MAOB (0.72) MAOBLMNAPTGS1PGRHTR1A
SCHEMBL11172999 0.87 MAOB (0.59) MAOBLMNAPTGS1PGRHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4330243-A1 RING CLOSURE OF BENZOQUINONES CONTAINING AN UNSATURATED SIDE CHAIN USING A BASIC CATALYST DSM IP Assets B.V. (NL) 2024-03-06 EP disclosed
EP-4330242-A1 RING CLOSURE OF BENZOQUINONES CONTAINING AN UNSATURATED SIDE CHAIN USING A BASE IN TWO-PHASE SYSTEM DSM IP Assets B.V. (NL) 2024-03-06 EP disclosed
US-4818441-A MEMBRANE STABILIZERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-04 US disclosed