Carbacyclin

Carbacyclin

SCHEMBL11090152

CCCCC[C@@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@@H]2C[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 1.00
PPARA Q07869 2/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
PPARG P37231 1/20 1.00
ALDH1A1 P00352 4/20 0.71
PTGIR P43119 7/20 0.64
PTGER2 P43116 4/20 0.64
PTGER1 P34995 3/20 0.64
PTGER3 P43115 3/20 0.64
PTGDR Q13258 2/20 0.64
PTGER4 P35408 4/20 0.57
TBXA2R P21731 3/20 0.57
PTGFR P43088 2/20 0.57
LMNA P02545 2/20 0.57
SLCO2A1 Q92959 1/20 0.57
TSHR P16473 3/20 0.57
HPGD P15428 2/20 0.57
MAPK1 P28482 2/20 0.57
NR1I2 O75469 1/20 0.57

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
Carbacyclin SCHEMBL30905566 1.00 PPARD (1.00) PPARDPPARAMEN1KMT2APPARG
Carbacyclin SCHEMBL13539945 1.00 PPARD (1.00) PPARDPPARAMEN1KMT2APPARG
Carbacyclin SCHEMBL9643974 1.00 PPARD (1.00) PPARDPPARAMEN1KMT2APPARG
Carbacyclin SCHEMBL10732794 1.00 PPARD (1.00) PPARDPPARAMEN1KMT2APPARG
Carbacyclin SCHEMBL10439712 1.00 PPARD (1.00) PPARDPPARAMEN1KMT2APPARG
Carbacyclin SCHEMBL24340889 1.00 PPARD (1.00) PPARDPPARAMEN1KMT2APPARG
Carbacyclin SCHEMBL6172952 1.00 PPARD (1.00) PPARDPPARAMEN1KMT2APPARG
Carbacyclin SCHEMBL6082848 1.00 PPARD (1.00) PPARDPPARAMEN1KMT2APPARG
Carbacyclin SCHEMBL1479163 1.00 PPARD (1.00) PPARDPPARAMEN1KMT2APPARG
Carbacyclin SCHEMBL28444482 1.00 PPARD (1.00) PPARDPPARAMEN1KMT2APPARG

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-4479966-A 6,9-Methano-PGI2 analogues ONO PHARMACEUTICAL COMPANY, LTD. (JP) 1984-10-30 US disclosed