SCHEMBL9568087

SCHEMBL9568087

OCCCC1CCc2ccccc2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.59
CYP19A1 P11511 1/20 0.49
HTR1A P08908 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
PLAU P00749 1/20 0.44
ANPEP P15144 1/20 0.42
NPY1R P25929 2/20 0.42
NPY5R Q15761 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
MAPT P10636 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL9567953 0.89 GBA1 (0.55) GBA1CYP19A1HTR1ASIGMAR1PLAU
SCHEMBL10530881 0.87 IDO1 (0.50) GBA1CYP19A1MAPTCHRM2CHRM4
SCHEMBL10616682 0.82 GBA1 (0.52) GBA1CYP19A1HTR1ASIGMAR1PLAU
SCHEMBL15701675 0.81 CYP19A1 (0.54) GBA1CYP19A1HTR1ASIGMAR1PLAU
SCHEMBL1689627 0.81 CYP19A1 (0.54) GBA1CYP19A1HTR1ASIGMAR1PLAU
SCHEMBL6570371 0.81 CYP19A1 (0.54) GBA1CYP19A1HTR1ASIGMAR1PLAU
SCHEMBL11076774 0.81 GBA1 (0.55) GBA1CYP19A1HTR1ASIGMAR1PLAU
SCHEMBL5849555 0.80 GBA1 (0.51) GBA1CYP19A1HTR1ASIGMAR1MAPT
SCHEMBL5661239 0.80 CYP19A1 (0.56) GBA1CYP19A1HTR1ADRD2DRD4
SCHEMBL4803094 0.79 GBA1 (0.57) GBA1CYP19A1HTR1ASIGMAR1PLAU

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-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed