SCHEMBL21027475

SCHEMBL21027475

C=C(C)SC(=C)CCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.41
CES1 P23141 4/20 0.41
THRB P10828 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 1/20 0.41
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 5/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL19928728 0.81
SCHEMBL23584339 0.76 CES2 (0.44) CES2CES1THRBGPR84PPARG
SCHEMBL18346855 0.76 AKR1B1 (0.50) CES2CES1THRBFNTAFNTB
SCHEMBL25929743 0.75 CES2 (0.35) CES2CES1THRBFNTAFNTB
SCHEMBL21962985 0.74 CES2 (0.42) CES2CES1GPR84PPARGPPARD
SCHEMBL20408301 0.74 TSHR (0.47) TSHRALDH1A1
SCHEMBL22137361 0.73
SCHEMBL21834650 0.72 CES2 (0.50) CES2CES1THRBGPR84PPARG
SCHEMBL2838084 0.72 CES2 (0.50) CES2CES1THRBGPR84PPARG
SCHEMBL22986932 0.72 CES2 (0.50) CES2CES1THRBGPR84PPARG

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-3489219-A1 THERAPEUTIC AGENT FOR GLAUCOMA TOA Eiyo Ltd. (JP) 2019-05-29 EP disclosed