SCHEMBL8480730

SCHEMBL8480730

COC1(OC2CCCCO2)C=CC(C=CC(=O)c2ccccc2O)=CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.40
AR P10275 1/20 0.40
MAPT P10636 9/20 0.38
MAOA P21397 3/20 0.38
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL9176711 0.94 MAPT (0.39) MAOBARMAPTMAOACASP3
SCHEMBL20340333 0.83 MAOB (0.39) MAOBARMAPTMAOACASP3
SCHEMBL28642287 0.75 MAOB (0.47) MAOBARMAPTMAOACASP3
SCHEMBL7008154 0.72 PTPN1 (0.42) MAOBMAPTKMT2ANPC1RAB9A
SCHEMBL7627864 0.71 MAPT (0.50) MAOBMAPTMAOACASP3SENP8
SCHEMBL21527691 0.70 MAOB (0.56) MAOBMAPTMAOACASP3SENP8
SCHEMBL21527690 0.70 MAOB (0.56) MAOBMAPTMAOACASP3SENP8
SCHEMBL9177550 0.68 MAOB (0.56) MAOBMAPTMAOACASP3SENP8
SCHEMBL30382765 0.68 MAOB (0.56) MAOBMAPTMAOACASP3SENP8
SCHEMBL30382511 0.64 MAPT (0.45) MAOBMAPTMAOACYP2C19ABCG2

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-5981775-A FROM A 2'-HYDROXYDEOXYBENZOIN USING PREPARED N,N'-DIMETHYL(CHLOROMETHYLENE)AMMONIUM CHLORIDE AS A REACTANT IN BORONTRIFLUORIDE ETHERATE OR OTHER LEWIS ACID AS A SOLVENT BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1999-11-09 US disclosed