Stearic Acid

Stearic Acid

SCHEMBL28872000

CCCCC(C)N(C)CCN.CCCCCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.50

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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 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 4/20 0.50
PTPN1 P18031 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 2/20 0.50
KMT2A Q03164 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50
ALOX15 P16050 1/20 0.50
PDE4A P27815 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
SCHEMBL7130959 0.86 FFAR4 (0.57) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL24771511 0.86 AKR1B1 (0.50) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL11867096 0.83 FFAR4 (0.51) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL5595390 0.81 FFAR4 (0.49) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL5595378 0.81 FFAR4 (0.49) GPR84PPARGPPARDPPARAHDAC11
Hydrochloric Acid SCHEMBL5595261 0.80 FFAR4 (0.47) GPR84PPARGPPARDPPARAHDAC11
Hydrochloric Acid SCHEMBL5595256 0.80 FFAR4 (0.47) GPR84PPARGPPARDPPARAHDAC11
Behenic Acid SCHEMBL2864700 0.79 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL3787481 0.79 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL2865131 0.79 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11

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
CN-109549860-A Preparation method of positively charged liposome and charged liposome J网络公司 2019-04-02 CN claimed