SCHEMBL8760547

SCHEMBL8760547

CC(=O)O[C@H]1CCc2ccccc2[C@H]1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
PIN1 Q13526 2/20 0.43
CHRM4 P08173 1/20 0.42
DRD2 P14416 1/20 0.42
HTR7 P34969 1/20 0.42
IDO1 P14902 2/20 0.41
PDPK1 O15530 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
SRD5A1 P18405 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL9147702 1.00 POLB (0.45) POLBPIN1CHRM4DRD2HTR7
SCHEMBL8760557 1.00 POLB (0.45) POLBPIN1CHRM4DRD2HTR7
SCHEMBL8760542 1.00 POLB (0.45) POLBPIN1CHRM4DRD2HTR7
SCHEMBL8923231 0.86 POLB (0.51) POLBPIN1CHRM4DRD2HTR7
SCHEMBL11743840 0.86 POLB (0.44) POLBPIN1CHRM4DRD2HTR7
SCHEMBL26148678 0.84 POLB (0.46) POLBPIN1CHRM4DRD2HTR7
SCHEMBL26148677 0.84 POLB (0.46) POLBPIN1CHRM4DRD2HTR7
SCHEMBL26149447 0.83 POLB (0.41) POLBPIN1CHRM4DRD2HTR7
SCHEMBL30908530 0.80 IDO1 (0.56) POLBPIN1CHRM4DRD2HTR7
SCHEMBL817976 0.80 IDO1 (0.56) POLBPIN1CHRM4DRD2HTR7

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
US-5637738-A Processes for preparing 1,2-epoxy-1,2,3,4-tetrahydronaphthalenes ZENECA LIMITED (GB) 1997-06-10 US disclosed
EP-0686153-B1 CHEMICAL PROCESS FOR PREPARATION OF 1,2-EPOXY-1,2,3,4-TETRAHYDRNAPHTALENE ZENECA LTD (GB) 1997-06-04 EP disclosed