SCHEMBL8386342

SCHEMBL8386342

CCCCCCC(CC)(C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
LPAR1 Q92633 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
THRB P10828 1/20 0.38
FAAH O00519 8/20 0.38
CES1 P23141 5/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
GPR84 Q9NQS5 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
SCHEMBL8386380 1.00 CES2 (0.43) CES2LPAR1LPAR3THRBFAAH
SCHEMBL9103789 0.84 CES2 (0.46) CES2LPAR1LPAR3FAAHCES1
SCHEMBL29098811 0.83 THRB (0.38) THRBMEN1CYP1A2KMT2AHSD17B10
SCHEMBL13269538 0.82 CES2 (0.45) CES2MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL28469502 0.80 CES2 (0.44) CES2MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL13269370 0.80 AKR1B1 (0.42) CES2MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL29098815 0.79 CES2 (0.46) CES2LPAR1LPAR3THRBFAAH
SCHEMBL29098829 0.79 CES2 (0.46) CES2LPAR1LPAR3THRBFAAH
SCHEMBL5163863 0.79 CES2 (0.46) CES2LPAR1LPAR3THRBFAAH
SCHEMBL29098823 0.79 CES2 (0.46) CES2LPAR1LPAR3THRBFAAH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11147808-A None JP disclosed
JP-H11147808-A SKIN COSMETIC KAO CORP 1999-06-02 JP disclosed