SCHEMBL31278428

SCHEMBL31278428

CCCCCCCCCCCCCCCC(CC)(CC)C(CC)(CC)C(=O)O.OCC(CO)(CO)CO.OCC(CO)(CO)CO.OCC(CO)(CO)CO.OCC(CO)(CO)CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
GPR84 Q9NQS5 8/20 0.34
PPARG P37231 7/20 0.34
PPARD Q03181 7/20 0.34
PPARA Q07869 7/20 0.34
HDAC11 Q96DB2 5/20 0.34
TSHR P16473 4/20 0.34
PTPN1 P18031 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
ALOX15 P16050 1/20 0.34
PDE4A P27815 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE3A Q14432 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
Ammonia Solution, Strong SCHEMBL29477163 0.90 CES2 (0.40) CES2GPR84PPARGPPARDPPARA
SCHEMBL2937013 0.86
SCHEMBL27654312 0.86 CES2 (0.40) CES2GPR84PPARGPPARDPPARA
SCHEMBL31212518 0.86 CES2 (0.40) CES2GPR84PPARGPPARDPPARA
SCHEMBL28930152 0.81 CES2 (0.33) CES2GPR84PPARGPPARDPPARA
Glycerin SCHEMBL28493253 0.81 KDM4E (0.40) GPR84MEN1KMT2AFFAR1FFAR4
SCHEMBL31476276 0.78 MEN1 (0.36) CES2MEN1KMT2A
SCHEMBL13269538 0.78 CES2 (0.45) CES2GPR84PPARGPPARDPPARA
SCHEMBL6061673 0.77 CES2 (0.36) CES2GPR84PPARGPPARDPPARA
SCHEMBL2119178 0.76 CES2 (0.44) CES2GPR84PPARGPPARDPPARA

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-114555047-B Water-in-oil type emulsified cosmetic 花王株式会社 2024-12-20 CN disclosed