SCHEMBL9566205

SCHEMBL9566205

COC(=O)CC/C=C\C[C@H]1COC(C)(C)O[C@H]1CO

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.47
TBXA2R P21731 1/20 0.44
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
AKT1 P31749 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SAE1 Q9UBE0 1/20 0.30
UBA2 Q9UBT2 1/20 0.30

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
SCHEMBL25881226 0.83 CNR1 (0.36) TBXAS1PTGER4PTGER3AKT1KDM4E
SCHEMBL13305489 0.81 TBXAS1 (0.44) TBXAS1TBXA2RPTGER4PTGER3AKT1
SCHEMBL10406426 0.78 TBXA2R (0.52) TBXAS1TBXA2RPTGER4PTGER3KDM4E
SCHEMBL9566225 0.77 TBXAS1 (0.47) TBXAS1TBXA2RPTGER4AKT1
SCHEMBL8701332 0.74 TBXA2R (0.34) TBXAS1TBXA2R
SCHEMBL8701326 0.74 TBXA2R (0.34) TBXAS1TBXA2R
SCHEMBL8701328 0.74 TBXA2R (0.34) TBXAS1TBXA2R
SCHEMBL25881230 0.72 AKT1 (0.33) TBXAS1PTGER4PTGER3AKT1KDM4E
SCHEMBL25881227 0.70 AKT1 (0.32) TBXAS1PTGER4PTGER3AKT1
SCHEMBL10405680 0.70 ALDH1A1 (0.38) TBXA2RPTGER4PTGER3KDM4EALDH1A1

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-0536713-A1 Oxazole and imidazole derivatives as prostaglandin analogs E.R. SQUIBB & SONS, INC. (US) 1993-04-14 EP disclosed