SCHEMBL4773863

SCHEMBL4773863

C=C(C)C(=O)OC(CCCCCCCCCC)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
MAPT P10636 1/20 0.39
FAAH O00519 8/20 0.38
CES1 P23141 5/20 0.36
GPR84 Q9NQS5 3/20 0.36
CES2 O00748 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR1 O14842 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36

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
SCHEMBL17078640 1.00 TSHR (0.47) TSHRMAPTFAAHCES1GPR84
SCHEMBL10678707 1.00 TSHR (0.47) TSHRMAPTFAAHCES1GPR84
SCHEMBL4236445 1.00 TSHR (0.47) TSHRMAPTFAAHCES1GPR84
SCHEMBL1419275 0.98 TSHR (0.45) TSHRMAPTFAAHCES1GPR84
SCHEMBL16553065 0.94 TSHR (0.42) TSHRFAAHCES1CES2MEN1
SCHEMBL8407812 0.83 FAAH (0.44) MAPTFAAHCES1GPR84CES2
SCHEMBL8667189 0.83 TSHR (0.41) TSHRMAPTFAAHCES1GPR84
SCHEMBL4269389 0.83 TSHR (0.46) TSHRMAPTFAAHGPR84FFAR1
SCHEMBL16180490 0.82 TSHR (0.45) TSHRMAPTFAAHGPR84FFAR1
SCHEMBL31648933 0.82 TSHR (0.45) TSHRMAPTFAAHGPR84MEN1

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
WO-2007127065-A9 IN SITU POLYMERIZATION FOR HAIR TREATMENT ANDORA INC (US) 2008-07-31 WO disclosed
WO-2007127065-A2 IN SITU POLYMERIZATION FOR HAIR TREATMENT LIVING PROOF, INC. (US) 2007-11-08 WO disclosed