SCHEMBL9067716

SCHEMBL9067716

C#COC(=O)c1ccc(C=C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
SNCA P37840 1/20 0.36
PTPN1 P18031 1/20 0.33
ELANE P08246 1/20 0.33
TSHR P16473 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 2/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL1713017 0.84 ELANE (0.40) ALDH1A1TDP1ELANETSHRCA1
SCHEMBL440528 0.78 ALDH1A1 (0.50) ALDH1A1TAS1R3TAS1R1TDP1SNCA
SCHEMBL13482690 0.78 ALDH1A1 (0.50) ALDH1A1TAS1R3TAS1R1TDP1SNCA
SCHEMBL25140218 0.77 TAS1R3 (0.38) ALDH1A1TAS1R3TAS1R1TDP1SNCA
SCHEMBL16382181 0.76 CA1 (0.54) ALDH1A1TDP1TSHRCA1CA2
SCHEMBL29030380 0.76 ALDH1A1 (0.48) ALDH1A1TAS1R3TAS1R1TDP1SNCA
SCHEMBL2748726 0.76 TSHR (0.52) ALDH1A1TSHRCA1CA2CA12
SCHEMBL25140210 0.75 TAS1R3 (0.36) ALDH1A1TAS1R3TAS1R1TDP1SNCA
SCHEMBL24858286 0.75 ALDH1A1 (0.46) ALDH1A1TAS1R3TAS1R1TDP1SNCA
SCHEMBL13337872 0.75 TDP1 (0.57) ALDH1A1TDP1GAAMAPTKMT2A

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-0537972-B1 Treating solution for contact lenses NOF CORP (JP) 1996-07-10 EP claimed