Stearic Acid

Stearic Acid

SCHEMBL8526358

C=CN1CCCC1=O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]

nearest known ligand 0.42

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
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
FABP3 P05413 6/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41
PDE4A P27815 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE3A Q14432 1/20 0.41

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 SCHEMBL8526004 1.00 GPR84 (0.41) GPR84PPARGPPARDPPARAFABP3
Stearic Acid SCHEMBL28219681 0.93 FABP3 (0.44) FABP3
Palmitic Acid SCHEMBL28297877 0.93 GPR84 (0.47) GPR84PPARGPPARDPPARAFABP3
Stearic Acid SCHEMBL17498239 0.93 GPR84 (0.47) GPR84PPARGPPARDPPARAFABP3
SCHEMBL28067367 0.85 FFAR4 (0.56) GPR84ALDH1A1TDP1FFAR1FFAR4
Stearic Acid SCHEMBL27343083 0.79 FNTA (0.36) GPR84PPARGPPARDPPARAFABP3
Propionic Acid SCHEMBL28130435 0.77 LMNA (0.39) TSHRALDH1A1KMT2A
SCHEMBL11857121 0.76 LMNA (0.34) ALDH1A1MEN1KMT2AHSD17B10
Dibutyl Sebacate SCHEMBL28018814 0.76 DGKA (0.45) TSHRALDH1A1KMT2A
SCHEMBL787107 0.75 TSHR (0.48) TSHRALDH1A1PDE4A

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
US-5972383-A Solid orally administerable raloxifene hydrochloride pharmaceutical formulation ELI LILLY AND COMPANY (US) 1999-10-26 US disclosed