SCHEMBL8566554

SCHEMBL8566554

O=C(O)CCCC=C1O[C@H]2C[C@@H](O)[C@H](C=C[C@H](O)C3CCCC3)[C@H]2C1(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.39
PTGER4 P35408 3/20 0.38
PTGER3 P43115 11/20 0.37
PTGFR P43088 11/20 0.37
PTGIR P43119 3/20 0.37
PTGER2 P43116 2/20 0.37
PTGER1 P34995 3/20 0.36
PTGDR Q13258 2/20 0.36
TBXA2R P21731 2/20 0.35
LMNA P02545 1/20 0.35
SLCO2A1 Q92959 1/20 0.35

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
SCHEMBL7017812 0.91 ALDH1A1 (0.35) ALDH1A1PPARGPPARDPPARAMEN1
SCHEMBL7021365 0.89 ALDH1A1 (0.39) ALDH1A1PPARGPPARDPPARAMEN1
SCHEMBL29640604 0.83 ALDH1A1 (0.64) ALDH1A1PPARGPPARDPPARAMEN1
SCHEMBL22687373 0.78 PTGER2 (0.53) ALDH1A1PPARGPPARDPPARAMEN1
SCHEMBL7021427 0.78 PTGER2 (0.53) ALDH1A1PPARGPPARDPPARAMEN1
SCHEMBL8567065 0.78 PTGER4 (0.41) ALDH1A1PPARGPPARDPPARAMEN1
SCHEMBL8567060 0.78 PTGER4 (0.41) ALDH1A1PPARGPPARDPPARAMEN1
SCHEMBL8564327 0.78 PTGER4 (0.41) ALDH1A1PPARGPPARDPPARAMEN1
SCHEMBL8564323 0.78 PTGER4 (0.41) ALDH1A1PPARGPPARDPPARAMEN1
SCHEMBL14562419 0.76 TBXA2R (0.44) ALDH1A1PPARGPPARDPPARAMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669329-B1 Difluorprostacyclins, intermediates for production thereof and processes for production thereof ASAHI GLASS CO LTD (JP) 1998-05-20 EP disclosed
EP-0789022-A1 Difluoroprostacyclins, intermediates for production thereof and process for production ASAHI GLASS COMPANY LTD. (JP) 1997-08-13 EP disclosed