SCHEMBL29897015

SCHEMBL29897015

CCCCC[C@H](O)C=C[C@@H]1[C@H]2/C(=C\CCCC(=O)[O-])CO[C@H]2C[C@H]1O.[Na+]

nearest known ligand 0.53

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG known ✓ P37231 1/20 0.52
PTGIR known ✓ P43119 2/20 0.42
PDE4D known ✓ Q08499 1/20 0.42
ALDH1A1 P00352 5/20 0.53
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PTGFR P43088 7/20 0.46
TBXA2R P21731 5/20 0.46
PTGER4 P35408 4/20 0.46
PTGER1 P34995 3/20 0.46
PTGER3 P43115 3/20 0.46
LMNA P02545 2/20 0.46
PTGDR Q13258 1/20 0.46
SLCO2A1 Q92959 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SAE1 Q9UBE0 1/20 0.44

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
Epoprostenol SCHEMBL128619 0.79 ALDH1A1 (0.82) ALDH1A1PPARGPPARDPPARAMEN1
Epoprostenol SCHEMBL29121502 0.79 ALDH1A1 (0.82) ALDH1A1PPARGPPARDPPARAMEN1
Epoprostenol SCHEMBL4299219 0.79 ALDH1A1 (0.82) ALDH1A1PPARGPPARDPPARAMEN1
Epoprostenol SCHEMBL41344 0.79 ALDH1A1 (0.82) ALDH1A1PPARGPPARDPPARAMEN1
SCHEMBL10753783 0.78 ALDH1A1 (0.54) ALDH1A1PPARGPPARDPPARAMEN1
SCHEMBL7030341 0.77 ALDH1A1 (0.53) ALDH1A1PPARGPPARDPPARAMEN1
Epoprostenol SCHEMBL5452422 0.76 ALDH1A1 (0.90) ALDH1A1PPARGPPARDPPARAMEN1
Dinoprost SCHEMBL4108894 0.73 PTGFR (0.81) ALDH1A1MEN1KMT2APTGFRTBXA2R
Dinoprost SCHEMBL4108891 0.73 PTGFR (0.81) ALDH1A1MEN1KMT2APTGFRTBXA2R
SCHEMBL31498876 0.72 ALDH1A1 (0.66) 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
CN-109153660-B Method for preparing epoprostenol sodium with enhanced stability 奇诺因药物和化学工厂私人有限公司 2022-10-11 CN claimed
CN-109153660-B Method for preparing epoprostenol sodium with enhanced stability 奇诺因药物和化学工厂私人有限公司 2022-10-11 CN disclosed