Stearic Acid

Stearic Acid

SCHEMBL9769931

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCc1cccc(C(=O)O)c1O.[Al+3]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Stearic Acid. 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
HMGB1 P09429 1/20 0.50
BID P55957 3/20 0.49
MCL1 Q07820 3/20 0.49
BCL2L1 Q07817 2/20 0.49
BAK1 Q16611 2/20 0.49
KAT8 Q9H7Z6 2/20 0.49
SAE1 Q9UBE0 2/20 0.49
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
EP300 Q09472 1/20 0.49
KAT2A Q92830 1/20 0.49
KAT2B Q92831 1/20 0.49
KAT5 Q92993 1/20 0.49
MMP2 P08253 2/20 0.43
F7 P08709 2/20 0.43
F3 P13726 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
ECE1 P42892 1/20 0.43

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
Stearic Acid SCHEMBL9769935 0.88 BID (0.44) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL2046701 0.86 BID (0.63) HMGB1BIDMCL1BCL2L1BAK1
SCHEMBL1003208 0.86 BID (0.63) HMGB1BIDMCL1BCL2L1BAK1
SCHEMBL112984 0.86 BID (0.63) HMGB1BIDMCL1BCL2L1BAK1
SCHEMBL6435540 0.86 BID (0.63) HMGB1BIDMCL1BCL2L1BAK1
SCHEMBL6436998 0.86 BID (0.63) HMGB1BIDMCL1BCL2L1BAK1
SCHEMBL342175 0.86 BID (0.63) HMGB1BIDMCL1BCL2L1BAK1
SCHEMBL5272270 0.86 BID (0.63) HMGB1BIDMCL1BCL2L1BAK1
SCHEMBL2044839 0.86 BID (0.63) HMGB1BIDMCL1BCL2L1BAK1
SCHEMBL168815 0.86 BID (0.63) HMGB1BIDMCL1BCL2L1BAK1

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
US-5013833-A Process for preparing cefuroxime axetil GLAXO GROUP LIMITED (GB) 1991-05-07 US disclosed
US-4994567-A Purification by recovering from solution by roller drying GALAXO GROUP LIMITED (GB) 1991-02-19 US disclosed
US-4820833-A PURIFICATION BY SPRAY DRYING PRECIPITATION, FREEZE DRYING; CEPHALOSPORINS GLAXO GROUP LIMITED (GB) 1989-04-11 US disclosed
EP-0107276-B1 NOVEL FORM OF CEFUROXIME ESTER, PROCESS FOR ITS PREPARATION AND COMPOSITION CONTAINING IT GLAXO GROUP LIMITED (GB) 1987-10-07 EP disclosed
US-4562181-A INCREASED ABSORPTION VIA THE GASTROINTESTINAL TRACT, ALLOWING FOR ORAL OR RECTAL ADMINISTRATION GLAXO GROUP LIMITED (GB) 1985-12-31 US disclosed
EP-0107276-A2 Novel form of cefuroxime ester, process for its preparation and composition containing it GLAXO GROUP LIMITED (GB) 1984-05-02 EP disclosed