SCHEMBL5176201

SCHEMBL5176201

CCCCCCCCCCCC=CC=Cc1cccc(OCC2CO2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
TSHR P16473 3/20 0.50
HIF1A Q16665 2/20 0.50
CYP3A4 P08684 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 2/20 0.42
TLR4 O00206 2/20 0.40
TLR2 O60603 2/20 0.40
PPARA Q07869 2/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.37
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL5176193 1.00 ALDH1A1 (0.50) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL624582 0.92 ALDH1A1 (0.54) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL624583 0.92 ALDH1A1 (0.54) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL28872353 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TDP1CCNB2CDK1
SCHEMBL23779806 0.83 TLR4 (0.56) ALDH1A1TSHRSMN1; SMN2TLR4TLR2
SCHEMBL23779805 0.83 TLR4 (0.56) ALDH1A1TSHRSMN1; SMN2TLR4TLR2
SCHEMBL7752355 0.81 TDP1 (0.44) ALDH1A1SMN1; SMN2TDP1
SCHEMBL30690430 0.80 PPARA (0.63) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL22632289 0.80 PPARA (0.63) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL22245451 0.79 ALDH1A1 (0.74) ALDH1A1TP53TSHRHIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001038398-A1 HYDROPHOBICALLY MODIFIED POLYOLS AKZO NOBEL N.V. (NL) 2001-05-31 WO claimed
US-20230102259-A1 EPOXY RESIN COMPOSITION THREEBOND CO., LTD. (JP) 2023-03-30 US disclosed
EP-1319044-B1 POLYMER COMPOSITES CONTAINING ETHYLENE OXIDE COPOLYMERS UNION CARBIDE CHEM PLASTIC (US) 2007-06-06 EP disclosed
US-20060111545-A1 Hydrophobic, solvent-free polyols stable to hydrolysis BAYER MATERIALSCIENCE AG 2006-05-25 US disclosed
US-20050179149-A1 Mould, a method of manufacturing the same as well as its use KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2005-08-18 US disclosed
EP-1499487-A1 A MOULD, A METHOD OF MANUFACTURING THE SAME AS WELL AS ITS USE Koninklijke Philips Electronics N.V. (NL) 2005-01-26 EP disclosed
US-6825273-B2 WATER-SENSITIVE COPOLYMER COMPRISING ALKYLENE OXIDE AND EPOXY-FUNCTIONAL COMONOMERS; AND WATER INSOLUBLE POLYMER; WET LUBRICATING; CATHETERS, SHAVERS, MEDICAL EQUIPMENT UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2004-11-30 US disclosed
US-20040127646-A1 Polymer composites containing alkylene oxide copolymers UNION CARBIDE CORPORATION 2004-07-01 US disclosed
WO-2003084727-A1 A MOULD, A METHOD OF MANUFACTURING THE SAME AS WELL AS ITS USE KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2003-10-16 WO disclosed
EP-1319044-A1 POLYMER COMPOSITES CONTAINING ALKYLENE OXIDE COPOLYMERS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2003-06-18 EP disclosed
WO-2002022739-A1 POLYMER COMPOSITES CONTAINING ALKYLENE OXIDE COPOLYMERS UNION CARBIDE CHEMICALS & PLASTICS (US) 2002-03-21 WO disclosed