SCHEMBL15095503

SCHEMBL15095503

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLCO2A1 Q92959 3/20 0.64
PTGFR P43088 9/20 0.55
PTGER3 P43115 4/20 0.55
TBXA2R P21731 4/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 3/20 0.55
PTGER1 P34995 3/20 0.55
PTGER4 P35408 1/20 0.55
PTGDR Q13258 1/20 0.55
HPGD P15428 2/20 0.50
ABCC4 O15439 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ABCB11 O95342 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
PTGER2 P43116 1/20 0.45

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
SCHEMBL18656591 0.84 SLCO2A1 (0.70) SLCO2A1PTGFRPTGER3TBXA2RALDH1A1
SCHEMBL3364894 0.82 PTGFR (0.71) SLCO2A1PTGFRPTGER3TBXA2RALDH1A1
SCHEMBL11846521 0.82 PTGFR (0.71) SLCO2A1PTGFRPTGER3TBXA2RALDH1A1
SCHEMBL1747671 0.82 PTGFR (0.71) SLCO2A1PTGFRPTGER3TBXA2RALDH1A1
SCHEMBL13061506 0.81 PTGFR (0.73) SLCO2A1PTGFRPTGER3TBXA2RALDH1A1
SCHEMBL11373483 0.79 ALDH1A1 (0.58) SLCO2A1PTGFRPTGER3TBXA2RALDH1A1
SCHEMBL8901815 0.79 TBXA2R (0.60) SLCO2A1PTGFRPTGER3TBXA2RALDH1A1
SCHEMBL8901811 0.79 TBXA2R (0.60) SLCO2A1PTGFRPTGER3TBXA2RALDH1A1
Latanoprost Acid SCHEMBL12087458 0.79 SLCO2A1 (1.00) SLCO2A1PTGFRPTGER3PTGER1MEN1
Latanoprost Acid SCHEMBL1313162 0.79 SLCO2A1 (1.00) SLCO2A1PTGFRPTGER3PTGER1MEN1

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-8481758-B2 Process for the production of prostaglandins and prostaglandin analogs SANDOZ AG (CH) 2013-07-09 US disclosed