SCHEMBL8647254

SCHEMBL8647254

COC(/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O)CCc1ccsc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 10/20 0.63
PTGER3 P43115 5/20 0.63
TBXA2R P21731 5/20 0.55
PTGER1 P34995 4/20 0.55
ALDH1A1 P00352 3/20 0.54
LMNA P02545 3/20 0.54
SLCO2A1 Q92959 2/20 0.54
PTGER4 P35408 1/20 0.54
PTGDR Q13258 1/20 0.54
ABCB11 O95342 1/20 0.53
AKR1C3 P42330 1/20 0.53
HPGD P15428 2/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
ABCC4 O15439 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SAE1 Q9UBE0 1/20 0.50

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
SCHEMBL21754423 0.90 PTGFR (0.78) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
SCHEMBL25177987 0.81 PTGFR (0.75) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
SCHEMBL25177988 0.81 PTGFR (0.75) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
SCHEMBL18532333 0.81 PTGFR (0.78) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
SCHEMBL13137214 0.81 ABCB11 (0.81) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
SCHEMBL8604245 0.79 SLCO2A1 (0.79) PTGFRPTGER3PTGER1SLCO2A1ABCB11
SCHEMBL10024575 0.79 PTGFR (0.63) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
SCHEMBL10057560 0.79 PTGFR (0.63) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
Tiaprost SCHEMBL867741 0.78 PTGFR (0.78) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
Tiaprost SCHEMBL14511288 0.78 PTGFR (0.78) PTGFRPTGER3TBXA2RPTGER1ALDH1A1

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-5834498-A OCULAR HYPOTENSIVE AGENTS ALLERGAN (US) 1998-11-10 US disclosed