SCHEMBL6561518

SCHEMBL6561518

O=C1C[C@@](CO)(c2ccccc2)Oc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.45
LDHA P00338 1/20 0.44
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.41
EGFR P00533 1/20 0.40
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
EPHX2 P34913 2/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
CYP19A1 P11511 1/20 0.36
MAOB P27338 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
SCHEMBL29258996 1.00 SIGMAR1 (0.45) SIGMAR1LDHAGAAMAPTRAB9A
SCHEMBL27794644 0.85 SIGMAR1 (0.45) SIGMAR1ATMEGFRCFTRGOPC
SCHEMBL27281924 0.85 SIGMAR1 (0.45) SIGMAR1SMN1; SMN2ATMEGFRCFTR
SCHEMBL28461980 0.84 SIGMAR1 (0.50) SIGMAR1ATMEGFRCFTRGOPC
SCHEMBL142562 0.81 HSP90AA1 (0.41) SIGMAR1ATMEGFRCFTRGOPC
SCHEMBL28460053 0.80 SIGMAR1 (0.41) SIGMAR1MAPTSMN1; SMN2ATMEGFR
SCHEMBL28881800 0.80 SIGMAR1 (0.39) SIGMAR1GAAATMEGFRHSD17B10
SCHEMBL28430170 0.79 MMP2 (0.41) SIGMAR1ATMEGFRCYP2C9
SCHEMBL27281276 0.78 MMP2 (0.43) SIGMAR1ATMCYP2C9
SCHEMBL753626 0.76 SIGMAR1 (0.45) SIGMAR1MAPTATMCFTRGOPC

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-1063967-B1 COMPOSITIONS FOR REGULATING SKIN APPEARANCE PROCTER & GAMBLE (US) 2004-02-11 EP disclosed