SCHEMBL11066601

SCHEMBL11066601

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.62
ALDH1A1 P00352 5/20 0.62
LMNA P02545 5/20 0.62
PTGER4 P35408 4/20 0.62
PTGFR P43088 3/20 0.62
PTGER1 P34995 3/20 0.62
PTGER3 P43115 3/20 0.62
SLCO2A1 Q92959 2/20 0.62
PTGDR Q13258 1/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
PTGDR2 Q9Y5Y4 1/20 0.59
HPGD P15428 4/20 0.54
ABCC4 O15439 1/20 0.54
PTGER2 P43116 3/20 0.54
PTGIR P43119 2/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
NR1I2 O75469 1/20 0.52
ESR1 P03372 1/20 0.52

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
SCHEMBL31189250 1.00 TBXA2R (0.62) TBXA2RALDH1A1LMNAPTGER4PTGFR
SCHEMBL11066562 1.00 TBXA2R (0.62) TBXA2RALDH1A1LMNAPTGER4PTGFR
SCHEMBL29363755 1.00 TBXA2R (0.62) TBXA2RALDH1A1LMNAPTGER4PTGFR
SCHEMBL16468503 1.00 TBXA2R (0.62) TBXA2RALDH1A1LMNAPTGER4PTGFR
SCHEMBL11073045 1.00 TBXA2R (0.62) TBXA2RALDH1A1LMNAPTGER4PTGFR
SCHEMBL11068245 0.84 ALDH1A1 (0.45) TBXA2RALDH1A1LMNAPTGER4PTGFR
SCHEMBL11075017 0.84 ALDH1A1 (0.45) TBXA2RALDH1A1LMNAPTGER4PTGFR
SCHEMBL11063005 0.84 ALDH1A1 (0.45) TBXA2RALDH1A1LMNAPTGER4PTGFR
SCHEMBL29352740 0.82 TBXA2R (0.66) TBXA2RALDH1A1LMNAPTGER4PTGFR
SCHEMBL12675616 0.82 PTGDR (0.45) TBXA2RPTGDRPTGER2

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