SCHEMBL2564100

SCHEMBL2564100

O=C1[C]c2ccc(O)cc2CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.44
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
PRKCI P41743 1/20 0.42
AKR1B1 P15121 2/20 0.41
MIF P14174 6/20 0.38
CYP26A1 O43174 1/20 0.38
OPRK1 P41145 1/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 1/20 0.36
HSD17B1 P14061 1/20 0.36
CYP19A1 P11511 1/20 0.35
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
HSP90AA1 P07900 1/20 0.34
ESR2 Q92731 1/20 0.34
NTRK1 P04629 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL2560450 0.85 PBRM1 (0.48) PBRM1MAOBMAOAPRKCIAKR1B1
SCHEMBL925838 0.71 CES1 (0.43) MAOBMAOA
SCHEMBL7472016 0.69 DRD2 (0.39) PBRM1MAOBMAOAPRKCIOPRK1
SCHEMBL3106114 0.67 MAOA (0.43) PBRM1MAOBMAOAPRKCIOPRK1
SCHEMBL8408108 0.67
SCHEMBL389710 0.65 MAOB (0.78) PBRM1MAOBMAOAPRKCIAKR1B1
SCHEMBL5844898 0.65 DRD2 (0.48) PBRM1MAOBMAOAPRKCIOPRK1
Ammonia Solution, Strong SCHEMBL21632258 0.65 DRD2 (0.54) PBRM1OPRK1DRD2DRD4DRD1
SCHEMBL784291 0.65 MAOB (0.59) PBRM1MAOBMAOAPRKCIAKR1B1
SCHEMBL23142696 0.64 MAOB (0.58) PBRM1MAOBMAOAPRKCIAKR1B1

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
EP-2194035-B1 Hydroxytetralones SALTIGO GMBH (DE) 2011-11-02 EP claimed