SCHEMBL6252969

SCHEMBL6252969

CCCCCc1cccc(-c2ccc(-c3ccc(C#N)cc3)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.69
HSD17B10 Q99714 1/20 0.69
HRH3 Q9Y5N1 5/20 0.48
LPL P06858 2/20 0.45
LIPG Q9Y5X9 2/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
SPHK2 Q9NRA0 3/20 0.42
SPHK1 Q9NYA1 2/20 0.42
MMP3 P08254 1/20 0.42

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
SCHEMBL5912019 1.00 TSHR (0.69) TSHRHSD17B10HRH3LPLLIPG
SCHEMBL3799636 0.88 TSHR (0.53) TSHRHSD17B10LPLLIPGCTSS
SCHEMBL27618809 0.88 TSHR (0.79) TSHRHSD17B10
SCHEMBL15810338 0.88 TSHR (0.64) TSHRHSD17B10HRH3MMP3
SCHEMBL15810340 0.88 TSHR (0.64) TSHRHSD17B10HRH3MMP3
SCHEMBL15810330 0.88 TSHR (0.64) TSHRHSD17B10HRH3MMP3
SCHEMBL11753901 0.85 TSHR (0.69) TSHRHSD17B10CTSSCTSK
SCHEMBL263560 0.84 HSD17B10 (0.96) TSHRHSD17B10HRH3
SCHEMBL508855 0.84 HSD17B10 (0.96) TSHRHSD17B10HRH3
SCHEMBL3153690 0.84 TSHR (0.72) TSHRHSD17B10HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110111140-A1 ADHESIVE COMPOSITION, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY LG CHEM, LTD. (KR) 2011-05-12 US disclosed
EP-1439841-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2005-11-09 EP disclosed
EP-1573372-A1 OPTICALLY ANISOTROPIC BODY Koninklijke Philips Electronics N.V. (NL) 2005-09-14 EP disclosed
EP-1439841-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2004-07-28 EP disclosed
WO-2004046774-A1 OPTICALLY ANISOTROPIC BODY KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2004-06-03 WO disclosed
WO-2003034987-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2003-05-01 WO disclosed