SCHEMBL5712429

SCHEMBL5712429

CCC1=CC(=O)C=C2CCC3C(C(O)C[C@@]4(C)C3CC[C@]4(O)C(=O)COC(=O)CCC(=O)[O-])[C@@]12C.[Na+]

nearest known ligand 0.74

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
▸ NR3C1 known ✓ P04150 4/20 0.52
▸ HIF1A Q16665 13/20 0.74
▸ LMNA P02545 3/20 0.74
▸ NFKB1 P19838 2/20 0.71
▸ PMP22 Q01453 1/20 0.71
▸ TSHR P16473 1/20 0.71
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ MAPT P10636 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ PGR P06401 4/20 0.56
▸ SERPINA6 P08185 3/20 0.53
▸ AR P10275 2/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ CYP3A4 P08684 4/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ HSD17B10 Q99714 4/20 0.50
▸ CYP2C19 P33261 3/20 0.50
▸ NR3C2 P08235 2/20 0.50
▸ ABCB11 O95342 1/20 0.50

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
SCHEMBL871152 0.91 HIF1A (0.76) HIF1ALMNANFKB1PMP22TSHR
SCHEMBL8750472 0.88 HIF1A (0.72) HIF1ALMNANFKB1PMP22TSHR
Prednisolone Hemisuccinate SCHEMBL871872 0.85 HIF1A (1.00) HIF1ALMNANFKB1PMP22TSHR
Prednisolone Hemisuccinate SCHEMBL122046 0.85 HIF1A (1.00) HIF1ALMNANFKB1PMP22TSHR
SCHEMBL770501 0.84 HIF1A (0.72) HIF1ALMNANFKB1PMP22TSHR
SCHEMBL31723329 0.84 HIF1A (0.69) HIF1ALMNANFKB1SMN1; SMN2MAPT
SCHEMBL1938519 0.84 HIF1A (0.69) HIF1ALMNANFKB1SMN1; SMN2MAPT
Hydrocortisone Hemisuccinate Anhydrous SCHEMBL3684419 0.83 HIF1A (1.00) HIF1ALMNANFKB1PMP22TSHR
Hydrocortisone Hemisuccinate Anhydrous SCHEMBL29506633 0.83 HIF1A (1.00) HIF1ALMNANFKB1PMP22TSHR
Hydrocortisone Hemisuccinate Anhydrous SCHEMBL93508 0.83 HIF1A (1.00) HIF1ALMNANFKB1PMP22TSHR

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
EP-1735469-A2 APPARATUS AND METHOD FOR TRANSDERMAL DELIVERY OF MULTIPLE VACCINES ALZA Corporation (US) 2006-12-27 — — EP disclosed
WO-2005103303-A2 APPARATUS AND METHOD FOR TRANSDERMAL DELIVERY OF MULTIPLE VACCINES ALZA CORPORATION (US) 2005-11-03 — — WO disclosed
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