SCHEMBL8580246

SCHEMBL8580246

CO[C@H]1C[C@H](OC)[C@H](/C=C/CCCCCCO)C1C/C=C\CCCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 2/20 0.41
PTGER1 P34995 2/20 0.41
PTGFR P43088 2/20 0.41
PTGER3 P43115 2/20 0.41
PTGER4 P35408 1/20 0.41
PTGDR Q13258 1/20 0.41
SLCO2A1 Q92959 1/20 0.41
PDE4D Q08499 4/20 0.40
HPGD P15428 2/20 0.40
ABCC4 O15439 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
TOP1 P11387 2/20 0.39
PTGER2 P43116 1/20 0.38
PTGIR P43119 1/20 0.38

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
SCHEMBL6696155 1.00 TBXA2R (0.41) TBXA2RLMNAALDH1A1PTGER1PTGFR
SCHEMBL6690724 0.91 PDE4D (0.49) TBXA2RLMNAALDH1A1PTGER1PTGFR
SCHEMBL8579034 0.91 PDE4D (0.49) TBXA2RLMNAALDH1A1PTGER1PTGFR
SCHEMBL6690486 0.91 PDE4D (0.49) TBXA2RLMNAALDH1A1PTGER1PTGFR
SCHEMBL6691982 0.91 PTGFR (0.48) TBXA2RLMNAALDH1A1PTGER1PTGFR
SCHEMBL6694985 0.91 PDE4D (0.35) ALDH1A1PDE4D
SCHEMBL6693745 0.90 PDE4D (0.48) TBXA2RLMNAALDH1A1PTGER3PTGER4
SCHEMBL7598676 0.82 LMNA (0.59) TBXA2RLMNAALDH1A1PTGER1PTGFR
SCHEMBL6691950 0.82 PDE4D (0.42) TBXA2RLMNAALDH1A1PTGER1PTGFR
SCHEMBL8430735 0.81 ALDH1A1 (0.52) TBXA2RLMNAALDH1A1PTGER1PTGFR

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-5798378-A TREATMENT OF OCULAR HYPERTENSION ALLERGAN (US) 1998-08-25 US disclosed