SCHEMBL11484121

SCHEMBL11484121

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 13/20 1.00
PTGER3 P43115 6/20 1.00
TBXA2R P21731 4/20 1.00
PTGER1 P34995 4/20 1.00
ALDH1A1 P00352 3/20 0.71
LMNA P02545 3/20 0.71
PTGER4 P35408 1/20 0.71
PTGDR Q13258 1/20 0.71
SLCO2A1 Q92959 1/20 0.71
HPGD P15428 2/20 0.65
ABCC4 O15439 1/20 0.65
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
HIF1A Q16665 1/20 0.61
KDM4E B2RXH2 1/20 0.57
HKDC1 Q2TB90 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SAE1 Q9UBE0 1/20 0.57
UBA2 Q9UBT2 1/20 0.57
MEN1 O00255 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
SCHEMBL3366405 1.00 PTGFR (1.00) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
SCHEMBL10626386 0.91 TBXA2R (0.84) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
SCHEMBL10882717 0.91 TBXA2R (0.84) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
Nocloprost SCHEMBL1554648 0.91 PTGER3 (0.84) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
SCHEMBL10882711 0.91 TBXA2R (0.84) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
SCHEMBL9744927 0.91 TBXA2R (0.84) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
SCHEMBL9721770 0.91 TBXA2R (0.84) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
Nocloprost SCHEMBL436204 0.91 PTGER3 (0.84) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
Nocloprost SCHEMBL1554645 0.91 PTGER3 (0.84) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
SCHEMBL9721774 0.91 TBXA2R (0.84) 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-4206127-A ANTICOAGULANTS, ANTISECRETORY AGENTS MILES LABORATORIES, INC. (US) 1980-06-03 US disclosed