SCHEMBL5872925

SCHEMBL5872925

CCCCC(CC)COC(=O)CCSCc1cc(C(C)(C)C)cc(CSCCC(=O)OCC(CC)CCCC)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 2/20 0.50
ALDH1A1 P00352 6/20 0.40
CA2 P00918 2/20 0.40
LMNA P02545 4/20 0.40
MAPK1 P28482 3/20 0.40
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CNR2 P34972 1/20 0.32
NR5A2 O00482 1/20 0.31
NR5A1 Q13285 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
SCHEMBL8990193 0.90 CYP3A4 (0.47) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL10685560 0.88 CYP3A4 (0.53) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL10686451 0.86 CYP3A4 (0.46) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1274852 0.82 CYP3A4 (0.45) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL17317431 0.80 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL10803685 0.80 TSHR (0.48) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL9816249 0.78 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL3966154 0.78 CYP3A4 (0.76) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL10449625 0.77 CYP3A4 (0.56) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1275503 0.76 CYP3A4 (0.43) CYP3A4TSHRTDP1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056967-B2 Stabilized medium and high voltage cable insulation composition CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-06-06 US disclosed
EP-1326915-B1 POLYOLEFIN ARTICLES WITH LONG-TERM ELEVATED TEMPERATURE STABILITY CLARIANT FINANCE BVI LTD (VG) 2005-11-09 EP disclosed
US-6774170-B2 HEAT STABILIZING WITH AN OXIDIZED, NON-CATIONIZED, NON-SILYLATED SULFUR BLACK PIGMENT, A HINDERED PHENOLIC ANTIOXIDANT A SULFUR-CONTAINING SECONDARY STABILIZER, AND A HINDERED AMINE CLARIANT FINANCE (BVI) LIMITED (VG) 2004-08-10 US disclosed
EP-1326915-A2 POLYOLEFIN ARTICLES WITH LONG-TERM ELEVATED TEMPERATURE STABILITY Clariant Finance (BVI) Limited (VG) 2003-07-16 EP disclosed
US-6538056-B1 Polyethylene or polypropylene compounded with sulfur black pigment; sterically hindered phenolic antioxidant and sulfur compound stabilizer; heat resistance CLARIANT INTERNATIONAL LTD. (CH) 2003-03-25 US disclosed
US-20020198344-A1 Stabilized medium and high voltage cable insulation composition CIBA SPECIALTY CHEMICALS CORP. 2002-12-26 US disclosed
US-20020156165-A1 Polyolefin articles with long-term elevated temperature stability CLARIANT INTERNATIONAL LTD. 2002-10-24 US disclosed
EP-1249845-A2 Stabilized medium and high voltage cable insulation composition Ciba SC Holding AG (CH) 2002-10-16 EP disclosed
WO-2002031043-A2 POLYOLEFIN ARTICLES WITH LONG-TERM ELEVATED TEMPERATURE STABILITY CLARIANT FINANCE (BVI) LIMITED (VG) 2002-04-18 WO disclosed
EP-0273013-B2 Substituted phenols as stabilizers CIBA GEIGY AG (CH) 1996-07-24 EP disclosed
US-5427701-A Heat and oxidation resistance, photostability CIBA-GEIGY CORPORATION (US) 1995-06-27 US disclosed
US-5376290-A For elastomers; heat and oxidation resistance, photostability CIBA-GEIGY CORPORATION (US) 1994-12-27 US disclosed
US-5008459-A For elastomers; registance to heat aging CIBA-GEIGY CORPORATION (US) 1991-04-16 US disclosed
EP-0273013-A1 Substituted phenols as stabilizers CIBA-GEIGY AG (CH) 1988-06-29 EP disclosed