SCHEMBL11075017

SCHEMBL11075017

CCCCC[C@@H](O)C=C[C@H]1C[C@H]2C[C@@H]([C@@H]1CC(=O)O)C2(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TBXA2R P21731 5/20 0.43
PTGER4 P35408 4/20 0.43
PTGER3 P43115 4/20 0.43
SLCO2A1 Q92959 2/20 0.43
LMNA P02545 2/20 0.43
PTGFR P43088 2/20 0.43
PTGER1 P34995 2/20 0.43
PTGDR Q13258 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
PTGER2 P43116 2/20 0.39
TRPA1 O75762 1/20 0.39
DDAH1 O94760 1/20 0.39
GAPDH P04406 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL11068245 1.00 ALDH1A1 (0.45) ALDH1A1TBXA2RPTGER4PTGER3SLCO2A1
SCHEMBL11063005 1.00 ALDH1A1 (0.45) ALDH1A1TBXA2RPTGER4PTGER3SLCO2A1
SCHEMBL11066601 0.84 TBXA2R (0.62) ALDH1A1TBXA2RPTGER4PTGER3SLCO2A1
SCHEMBL11073045 0.84 TBXA2R (0.62) ALDH1A1TBXA2RPTGER4PTGER3SLCO2A1
SCHEMBL31189250 0.84 TBXA2R (0.62) ALDH1A1TBXA2RPTGER4PTGER3SLCO2A1
SCHEMBL16468503 0.84 TBXA2R (0.62) ALDH1A1TBXA2RPTGER4PTGER3SLCO2A1
SCHEMBL29363755 0.84 TBXA2R (0.62) ALDH1A1TBXA2RPTGER4PTGER3SLCO2A1
SCHEMBL11066562 0.84 TBXA2R (0.62) ALDH1A1TBXA2RPTGER4PTGER3SLCO2A1
SCHEMBL11070144 0.81 TRPA1 (0.38) ALDH1A1PTGDRMEN1KMT2APPARG
SCHEMBL11508605 0.75 ALDH1A1 (0.52) ALDH1A1TBXA2RPTGER4PTGER3SLCO2A1

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-4424374-A Bicycloheptane derivatives MAY & BAKER LIMITED (GB) 1984-01-03 US disclosed