SCHEMBL9418355

SCHEMBL9418355

C=CC(=O)Oc1ccccc1C(C)C(O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
KDM4E B2RXH2 4/20 0.37
LMNA P02545 3/20 0.37
ADRA2C P18825 2/20 0.37
ADRA2A P08913 1/20 0.37
HIF1A Q16665 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
NPY5R Q15761 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
ELANE P08246 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA1A P35348 1/20 0.35
RGS12 O14924 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL4596358 0.81 THRB (0.49) THRATHRBKDM4ELMNAHSD17B10
SCHEMBL9326980 0.78 THRB (0.40) THRATHRBKDM4ELMNAHCAR2
SCHEMBL344077 0.78 THRB (0.47) THRATHRBKDM4ELMNAHSD17B10
SCHEMBL7523065 0.78 THRB (0.47) THRATHRBKDM4ELMNAALDH1A1
SCHEMBL28839147 0.77 THRB (0.41) THRATHRBKDM4ELMNAHCAR2
SCHEMBL28297685 0.77 THRB (0.52) THRATHRBKDM4EALDH1A1HSD17B10
SCHEMBL10426925 0.75 THRB (0.42) THRATHRBLMNAALDH1A1HPGD
SCHEMBL21030277 0.74 THRB (0.44) THRATHRBKDM4ELMNAHSD17B10
SCHEMBL29413361 0.73 THRB (0.56) THRATHRBKDM4EALDH1A1HSD17B10
SCHEMBL3841280 0.73 THRB (0.56) THRATHRBKDM4EALDH1A1HSD17B10

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-0289797-B1 Contact lens material KUREHA CHEMICAL IND CO LTD (JP) 1994-11-02 EP disclosed
EP-0289797-A2 Contact lens material KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-11-09 EP disclosed