SCHEMBL7017362

SCHEMBL7017362

CCC#CC[C@H](C)[C@H](O)C=C[C@@H]1[C@@H]2[C@H](C[C@H]1O)OC(=CCCCC(=O)OC)C2(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 5/20 0.43
PTGER3 P43115 5/20 0.43
PTGIR P43119 2/20 0.43
PTGER1 P34995 1/20 0.43
PTGDR Q13258 1/20 0.43
PTGER4 P35408 7/20 0.38
KCNH2 Q12809 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4D Q08499 4/20 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
SCHEMBL7026869 1.00 PTGER2 (0.43) PTGER2PTGER3PTGIRPTGER1PTGDR
SCHEMBL22687373 0.91 PTGER2 (0.53) PTGER2PTGER3PTGIRPTGER1PTGDR
SCHEMBL7021427 0.91 PTGER2 (0.53) PTGER2PTGER3PTGIRPTGER1PTGDR
SCHEMBL8807686 0.90 PTGIR (0.47) PTGER2PTGER3PTGIRPTGER1PTGDR
SCHEMBL7022664 0.90 PTGIR (0.47) PTGER2PTGER3PTGIRPTGER1PTGDR
SCHEMBL21955603 0.88 PTGER2 (0.41) PTGER2PTGER3PTGIRPTGER1PTGDR
SCHEMBL7017123 0.83 ALDH1A1 (0.56) PTGER3PTGER1PTGDRPTGER4ALDH1A1
SCHEMBL7018997 0.82 ALDH1A1 (0.45) PTGER3PTGIRPTGER1PTGDRPTGER4
SCHEMBL7024618 0.82 ALDH1A1 (0.45) PTGER3PTGIRPTGER1PTGDRPTGER4
SCHEMBL7021365 0.80 ALDH1A1 (0.39) PTGER3PTGIRPTGER1PTGER4ALDH1A1

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