SCHEMBL12001925

SCHEMBL12001925

CCCOC1CCC(c2ccc(O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 17/20 0.53
ESR1 P03372 6/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2D6 P10635 1/20 0.45

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
SCHEMBL14618753 0.85 MEN1 (0.37) ESR2CYP2C9
SCHEMBL26941799 0.83 DRD2 (0.49)
SCHEMBL9498344 0.80 ALDH1A1 (0.45) ESR2CYP2C9
SCHEMBL1531796 0.80 ESR2 (0.51) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL1531798 0.80 ESR2 (0.51) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL11618676 0.80 GRIA1 (0.42)
SCHEMBL21482373 0.79 ESR2 (0.53) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL9626519 0.79 GPR119 (0.33) ESR2CYP2C9
SCHEMBL9626525 0.79 GPR119 (0.33) ESR2CYP2C9
SCHEMBL1516129 0.77 ESR2 (0.62) ESR2ESR1CYP3A4CYP2C9CYP2D6

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
US-20120212691-A1 LIQUID CRYSTAL DISPLAY DEVICE AND MANUFACTURING METHOD THEREOF SONY CORPORATION (JP) 2012-08-23 US disclosed