SCHEMBL4890192

SCHEMBL4890192

C=C(C)C(=O)OC(C)N(C)C.CCCCCCCCCCCCCl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.36
FAAH O00519 5/20 0.35
SPHK1 Q9NYA1 1/20 0.32
MAPT P10636 2/20 0.31
MAPK1 P28482 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
CES2 O00748 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL4888569 1.00 TSHR (0.45) TSHRALDH1A1LMNAFAAHSPHK1
SCHEMBL4894569 1.00 TSHR (0.45) TSHRALDH1A1LMNAFAAHSPHK1
SCHEMBL4890058 1.00 TSHR (0.45) TSHRALDH1A1LMNAFAAHSPHK1
SCHEMBL4892381 1.00 TSHR (0.45) TSHRALDH1A1LMNAFAAHSPHK1
Hexadecane SCHEMBL5163752 0.91 TSHR (0.50) TSHRLMNAFAAHSPHK1MAPT
SCHEMBL28870361 0.85 TSHR (0.45) TSHRALDH1A1LMNAFAAHSPHK1
SCHEMBL5269607 0.85 TSHR (0.45) TSHRALDH1A1LMNAFAAHSPHK1
SCHEMBL28870325 0.85 TSHR (0.45) TSHRALDH1A1LMNAFAAHSPHK1
Butane SCHEMBL1997610 0.84 TSHR (0.42) TSHRALDH1A1THRB
Dodecylamine SCHEMBL28784831 0.84 TSHR (0.44) TSHRALDH1A1LMNAFAAH

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
US-20080182917-A1 Production method of encapsulated material, and encapsulated material SEIKO EPSON CORPORATION 2008-07-31 US disclosed