SCHEMBL13468478

SCHEMBL13468478

CCCCC[C@H](O)/C=C/[C@H]1CC[C@H](O)[C@@H]1C/C=C\CCCC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGFR P43088 8/20 0.59
▸ ALDH1A1 P00352 5/20 0.59
▸ TBXA2R P21731 4/20 0.59
▸ PTGER4 P35408 3/20 0.59
▸ SLCO2A1 Q92959 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ PTGER1 P34995 2/20 0.59
▸ PTGER3 P43115 2/20 0.59
▸ PTGDR Q13258 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.56
▸ HKDC1 Q2TB90 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ SAE1 Q9UBE0 1/20 0.56
▸ UBA2 Q9UBT2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ PTGDR2 Q9Y5Y4 1/20 0.56
▸ HPGD P15428 2/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ PTGER2 P43116 2/20 0.51

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
SCHEMBL31149399 0.91 ALDH1A1 (0.70) PTGFRALDH1A1TBXA2RPTGER4SLCO2A1
SCHEMBL11661995 0.91 ALDH1A1 (0.70) PTGFRALDH1A1TBXA2RPTGER4SLCO2A1
SCHEMBL31149400 0.91 ALDH1A1 (0.70) PTGFRALDH1A1TBXA2RPTGER4SLCO2A1
SCHEMBL11511040 0.91 ALDH1A1 (0.70) PTGFRALDH1A1TBXA2RPTGER4SLCO2A1
SCHEMBL13468495 0.91 ALDH1A1 (0.70) PTGFRALDH1A1TBXA2RPTGER4SLCO2A1
SCHEMBL11726946 0.91 ALDH1A1 (0.70) PTGFRALDH1A1TBXA2RPTGER4SLCO2A1
SCHEMBL11734994 0.91 ALDH1A1 (0.70) PTGFRALDH1A1TBXA2RPTGER4SLCO2A1
SCHEMBL11726953 0.91 ALDH1A1 (0.70) PTGFRALDH1A1TBXA2RPTGER4SLCO2A1
SCHEMBL11661629 0.91 ALDH1A1 (0.70) PTGFRALDH1A1TBXA2RPTGER4SLCO2A1
SCHEMBL11511042 0.91 ALDH1A1 (0.70) PTGFRALDH1A1TBXA2RPTGER4SLCO2A1

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
WO-2012139164-A1 POLYMER CONJUGATED PROSTAGLANDIN ANALOGUES POLYACTIVA PTY LTD (AU) 2012-10-18 — — WO disclosed
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