SCHEMBL7018997

SCHEMBL7018997

CCCC[C@H](C)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 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
PTGER3 P43115 4/20 0.40
PTGER4 P35408 3/20 0.40
PTGIR P43119 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4D Q08499 5/20 0.38
TBXA2R P21731 2/20 0.34
PTGER1 P34995 2/20 0.34
LMNA P02545 1/20 0.34
PTGFR P43088 1/20 0.34
PTGDR Q13258 1/20 0.34

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
SCHEMBL7024618 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL7017123 0.90 ALDH1A1 (0.56) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL7017004 0.89 ALDH1A1 (0.42) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL7015989 0.89 ALDH1A1 (0.42) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL7021365 0.82 ALDH1A1 (0.39) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL7017362 0.82 PTGER2 (0.43) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL7026869 0.82 PTGER2 (0.43) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL29640604 0.80 ALDH1A1 (0.64) ALDH1A1PTGER3PTGER4PTGIRPPARG
SCHEMBL7022721 0.79 PDE4D (0.34) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL7030341 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EHKDC1TDP1SAE1

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