SCHEMBL11571981

SCHEMBL11571981

O=C([O-])CCC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.[Na+]

nearest known ligand 0.61

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
▸ CA2 known ✓ P00918 1/20 0.41
▸ ADORA1 known ✓ P30542 1/20 0.34
▸ TLR4 known ✓ O00206 1/20 0.33
▸ CDK1 P06493 1/20 0.61
▸ CCNB1 P14635 1/20 0.61
▸ LDHA P00338 1/20 0.44
▸ EPHX2 P34913 3/20 0.42
▸ CA9 Q16790 1/20 0.41
▸ PRKD3 O94806 1/20 0.36
▸ PRKCG P05129 1/20 0.36
▸ PRKCB P05771 1/20 0.36
▸ PRKCA P17252 1/20 0.36
▸ PRKCH P24723 1/20 0.36
▸ PRKCI P41743 1/20 0.36
▸ PRKCE Q02156 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ PRKCZ Q05513 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ PRKD1 Q15139 1/20 0.36
▸ MEN1 O00255 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
SCHEMBL3131927 0.94 CDK1 (0.69) CDK1CCNB1LDHAEPHX2CA2
Sucrose SCHEMBL11571978 0.90 CDK1 (0.67) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL27699682 0.89 CDK1 (0.64) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL8649826 0.89 CDK1 (0.66) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL9621810 0.89 CDK1 (0.66) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL6358258 0.88 CDK1 (0.62) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL4111067 0.88 CDK1 (0.67) CDK1CCNB1LDHAEPHX2CA2
Sucrose SCHEMBL6358255 0.88 CDK1 (0.67) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL983823 0.87 CDK1 (0.64) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL9621529 0.87 CDK1 (0.69) CDK1CCNB1LDHAEPHX2CA2

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-1943566-A Curcumin liposome and its method for preparing freeze-dried powder injection XIANSHENG MEDICINE RES CO LTD (CN) 2007-04-11 — — CN disclosed
US-4151304-A WATER IN OIL EMULSIONS, SUCCINIC HALF ESTERS OF SUCROSE LEVER BROTHERS COMPANY (US) 1979-04-24 — — US disclosed
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