SCHEMBL7636498

SCHEMBL7636498

C=C(CC(CC)CCCC)C(=O)OC(=O)C(C)=CCCCC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CYP3A4 P08684 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
ATM Q13315 1/20 0.35
CA2 P00918 3/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 3/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GRIK1 P39086 1/20 0.31

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
SCHEMBL5030395 0.83 TSHR (0.40) TSHRCYP3A4TDP1ATMCA2
SCHEMBL7636501 0.81 TSHR (0.38) TSHRCYP3A4TDP1ATMCA2
Maleic Acid SCHEMBL5022406 0.81 TSHR (0.43) TSHRCYP3A4TDP1ATMCA2
SCHEMBL285227 0.80 TSHR (0.49) TSHRCYP3A4TDP1ATMCA2
SCHEMBL27980321 0.79 TSHR (0.40) TSHRCYP3A4TDP1ATMCA2
SCHEMBL28119989 0.79 TSHR (0.42) TSHRCYP3A4TDP1ATMCA2
SCHEMBL6067659 0.79 TSHR (0.34) TSHRCYP2D6CYP2C19ALDH1A1GRIK1
SCHEMBL14889961 0.78 TSHR (0.38) TSHRCYP3A4TDP1ATMCA2
SCHEMBL11451456 0.78 TSHR (0.45) TSHRCYP3A4TDP1ATMCA2
SCHEMBL7754867 0.78 EP300 (0.41) TSHRATMCYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233764-A1 TRANSDERMAL DEVICE COMPRISING A RESERVOIR AND A MATRIX CONTAINING THE SAME ACTIVE PRINCIPLE PIERRE FABRE MEDICAMENT (FR) 2002-08-28 EP disclosed
WO-2001039754-A1 TRANSDERMAL DEVICE COMPRISING A RESERVOIR AND A MATRIX CONTAINING THE SAME ACTIVE PRINCIPLE PIERRE FABRE MEDICAMENT (FR) 2001-06-07 WO disclosed
US-5565130-A ACRYLATED POLYBUTADIENE WITH BOTH VINYL AND 1,4-ADDITION UNITS COPOLYMERIZED WITH ACRYLATE MONOMERS ROHM GMBH CHEMISCHE FABRIK (DE) 1996-10-15 US disclosed