Stearic Acid

Stearic Acid

SCHEMBL15049028

CCCCCC(CC)OC(=O)C(=Cc1ccccc1)OC.CCCCCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.43

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 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
FFAR1 O14842 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX2 P34913 1/20 0.38
PPARG P37231 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL14698302 0.93 CTSK (0.44) TDP1LMNACTSLCTSBCTSK
SCHEMBL62157 0.93 CTSK (0.44) TDP1LMNACTSLCTSBCTSK
Glycine SCHEMBL4305400 0.90 CTSK (0.40) TDP1LMNACTSLCTSBCTSK
SCHEMBL19717782 0.90 CTSK (0.42) TDP1LMNACTSLCTSBCTSK
Cinnamic Acid SCHEMBL14166230 0.87 EGFR (0.44) LMNACTSLCTSBCTSKALDH1A1
SCHEMBL3008176 0.85 TDP1 (0.36) TDP1LMNACTSLCTSBCTSK
SCHEMBL670603 0.83 LMNA (0.43) TDP1LMNACTSLCTSBCTSK
SCHEMBL30497044 0.83 TDP1 (0.38) TDP1LMNACTSLCTSBCTSK
SCHEMBL30452264 0.83 TDP1 (0.38) TDP1LMNACTSLCTSBCTSK
SCHEMBL29402668 0.83 LMNA (0.39) TDP1LMNACTSLCTSBCTSK

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
EP-2606725-A1 Phenol derivatives as antimicrobial agents Symrise AG (DE) 2013-06-26 EP disclosed