SCHEMBL5086176

SCHEMBL5086176

Cc1cc(CSCCO)cc(CSCCO)c1O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
SHBG P04278 1/20 0.49
BCHE P06276 1/20 0.32
HMGB1 P09429 1/20 0.32
CXCL12 P48061 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
APEX1 P27695 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL10688054 0.87 CYP1A2 (0.58) CYP1A2CYP2C9SHBGBCHETDP1
SCHEMBL16572048 0.82 SHBG (0.47) CYP1A2CYP2C9SHBGHMGB1CXCL12
SCHEMBL2027319 0.81 SHBG (0.40) CYP1A2CYP2C9SHBGPTGS2
SCHEMBL2033663 0.81 SHBG (0.40) CYP1A2CYP2C9SHBGPTGS2
SCHEMBL29370252 0.81 SHBG (0.40) CYP1A2CYP2C9SHBGPTGS2
SCHEMBL2033866 0.81 SHBG (0.40) CYP1A2CYP2C9SHBGPTGS2
SCHEMBL14998827 0.81 SHBG (0.40) CYP1A2CYP2C9SHBGPTGS2
SCHEMBL34981 0.81 SHBG (0.40) CYP1A2CYP2C9SHBGPTGS2
SCHEMBL6057474 0.81 SHBG (0.40) CYP1A2CYP2C9SHBGPTGS2
SCHEMBL29370396 0.81 SHBG (0.40) CYP1A2CYP2C9SHBGPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1249845-B1 Stabilized medium and high voltage cable insulation composition BASF SE (DE) 2012-07-11 EP disclosed
US-7452933-B2 Cross-linked polyethylene having excellent inhibition of sweat-out and insulation properties LG CHEM, LTD. (KR) 2008-11-18 US disclosed
US-20070203278-A1 CROSS-LINKED POLYETHYLENE HAVING EXCELLENT INHIBITION OF SWEAT-OUT AND INSULATION PROPERTIES LG CHEM, LTD. (KR) 2007-08-30 US disclosed
US-7056967-B2 Stabilized medium and high voltage cable insulation composition CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-06-06 US disclosed
US-20020198344-A1 Stabilized medium and high voltage cable insulation composition CIBA SPECIALTY CHEMICALS CORP. 2002-12-26 US disclosed
EP-1249845-A2 Stabilized medium and high voltage cable insulation composition Ciba SC Holding AG (CH) 2002-10-16 EP disclosed
EP-0224442-B1 USE OF SUBSTITUTED PHENOLS AS STABILIZERS CIBA-GEIGY AG (CH) 1990-05-16 EP disclosed
US-4857572-A ELASTOMERS AND TACKIFIER RESINS CIBA-GEIGY CORPORATION (US) 1989-08-15 US disclosed