SCHEMBL8923231

SCHEMBL8923231

CC(=O)OC1CCc2ccccc2C1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
PIN1 Q13526 2/20 0.43
CHRM4 P08173 1/20 0.41
DRD2 P14416 1/20 0.41
HTR7 P34969 1/20 0.41
IDO1 P14902 2/20 0.40
PDPK1 O15530 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
SRD5A1 P18405 2/20 0.39
GAA P10253 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
ATM Q13315 1/20 0.38
SLC18A3 Q16572 1/20 0.38

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
SCHEMBL8760542 0.86 POLB (0.45) POLBPIN1CHRM4DRD2HTR7
SCHEMBL8760557 0.86 POLB (0.45) POLBPIN1CHRM4DRD2HTR7
SCHEMBL8760547 0.86 POLB (0.45) POLBPIN1CHRM4DRD2HTR7
SCHEMBL9147702 0.86 POLB (0.45) POLBPIN1CHRM4DRD2HTR7
SCHEMBL11743840 0.84 POLB (0.44) POLBPIN1CHRM4DRD2HTR7
SCHEMBL26148677 0.83 POLB (0.46) POLBPIN1CHRM4DRD2HTR7
SCHEMBL26148678 0.83 POLB (0.46) POLBPIN1CHRM4DRD2HTR7
SCHEMBL26149447 0.82 POLB (0.41) POLBPIN1CHRM4DRD2HTR7
SCHEMBL19911693 0.81 IDO1 (0.47) PIN1IDO1CHRM2CHRM1CHRM3
SCHEMBL19911692 0.81 IDO1 (0.47) PIN1IDO1CHRM2CHRM1CHRM3

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-0802897-A1 NOVEL COMPOUNDS Smithkline Beecham S.p.A. (IT) 1997-10-29 EP disclosed
WO-1996021638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM S.P.A. (IT) 1996-07-18 WO disclosed