SCHEMBL7026596

SCHEMBL7026596

CCCCC[C@H](O)C#C[C@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
PPARG P37231 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
TSHR P16473 2/20 0.32
PTGER4 P35408 1/20 0.32
PTGER2 P43116 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
ABCC3 O15438 1/20 0.32
ABCC4 O15439 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
DRD1 P21728 1/20 0.32
PTGIR P43119 1/20 0.32
NR4A2 P43354 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL10894433 0.80 PTGIR (0.33) ALDH1A1PPARGMEN1KMT2APPARD
SCHEMBL10893295 0.79 PTGIR (0.34) ALDH1A1PPARGMEN1KMT2APPARD
SCHEMBL10894457 0.79 PTGIR (0.34) ALDH1A1PPARGMEN1KMT2APPARD
SCHEMBL10898916 0.79 PTGIR (0.34) ALDH1A1PPARGMEN1KMT2APPARD
SCHEMBL10894250 0.79 PTGIR (0.34) ALDH1A1PPARGMEN1KMT2APPARD
SCHEMBL10892953 0.79 PTGIR (0.34) ALDH1A1PPARGMEN1KMT2APPARD
SCHEMBL10981140 0.76 PTGIR (0.30) PTGIR
SCHEMBL11216496 0.75 ALDH1A1 (0.41) ALDH1A1PPARGMEN1KMT2APPARD
SCHEMBL10597951 0.74 PTGIR (0.32) ALDH1A1MEN1KMT2ATSHRPTGER4
SCHEMBL10600714 0.74 PTGIR (0.32) ALDH1A1MEN1KMT2ATSHRPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789022-B1 Difluoroprostacyclins, intermediates for production thereof and processes for production thereof ASAHI GLASS CO LTD (JP) 2003-06-18 EP disclosed
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
US-5616732-A Intermediates for difluoroprostacyclins and methods for their production ASAHI GLASS COMPANY LTD. (JP) 1997-04-01 US disclosed
US-5538995-A Difluoroprostacyclins ASAHI GLASS COMPANY LTD. (JP) 1996-07-23 US disclosed
EP-0669329-A1 Difluorprostacyclins, intermediates for production thereof and processes for production thereof ASAHI GLASS COMPANY LTD. (JP) 1995-08-30 EP disclosed