SCHEMBL7718403

SCHEMBL7718403

Cc1ccc(O)c(C2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.51
BACE1 P56817 1/20 0.51
HSP90AA1 P07900 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.49
TRPA1 O75762 1/20 0.46
TP53 P04637 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 3/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
NPC1 O15118 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL28722733 0.98 NUDT1 (0.54) NUDT1BACE1HSP90AA1PTGDR2TRPA1
SCHEMBL28723110 0.98 NUDT1 (0.54) NUDT1BACE1HSP90AA1PTGDR2TRPA1
SCHEMBL28723166 0.98 NUDT1 (0.54) NUDT1BACE1HSP90AA1PTGDR2TRPA1
SCHEMBL2702248 0.98 NUDT1 (0.54) NUDT1BACE1HSP90AA1PTGDR2TRPA1
SCHEMBL10455337 0.98 NUDT1 (0.54) NUDT1BACE1HSP90AA1PTGDR2TRPA1
Methane SCHEMBL3124227 0.96 NUDT1 (0.53) NUDT1BACE1HSP90AA1PTGDR2TRPA1
SCHEMBL8284606 0.96 NUDT1 (0.47) NUDT1BACE1HSP90AA1PTGDR2TRPA1
P-Cresol SCHEMBL28148690 0.91 NUDT1 (0.49) NUDT1BACE1HSP90AA1PTGDR2TRPA1
SCHEMBL11683077 0.90 NUDT1 (0.48) NUDT1BACE1HSP90AA1PTGDR2TRPA1
SCHEMBL11096658 0.85 TAS1R3 (0.45) NUDT1BACE1HSP90AA1PTGDR2TRPA1

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 596 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101838544-B Scale inhibitor of ethylene device gasoline stripping tower and using method thereof SHANGHAI LIANGTIAN CHEMICALS CO LTD 2013-09-11 CN claimed
CN-102775265-A High-efficiency polymerization and scale inhibitor for ethylene unit and synthesis method thereof NANJING YANGZI FINE CHEMICAL CO LTD 2012-11-14 CN claimed
CN-102070394-A Scale inhibitor for styrene rectification system ZHEJIANG HUANGHUA TECHNOLOGY CO LTD 2011-05-25 CN claimed
CN-101838544-A Scale inhibitor of ethylene device gasoline stripping tower and using method thereof SHANGHAI LIANGTIAN CHEMICALS CO LTD 2010-09-22 CN claimed
CN-101445749-A Scale-resistant clearing agent for quenching oil tower of ethylene unit HANGZHOU RES INST OF CHEMICAL (CN) 2009-06-03 CN claimed
CN-101421343-A Stabilized spandex compositions CYTEC TECH CORP (US) 2009-04-29 CN claimed
CN-100352899-C Ethene compressor cleaning media HANGZHOU CHEMICAL INST CO LTD (CN) 2007-12-05 CN claimed
CN-1810880-A Composition and process for improving heat and weathering stability of segmented polyurethane polymers CIBA SC HOLDING AG (CH) 2006-08-02 CN claimed
CN-1778880-A Ethene compressor cleaning media HANGZHOU CHEMICAL INST CO LTD (CN) 2006-05-31 CN claimed
CN-101878258-B Liquid stabilizer mixture BASF SE 2013-10-23 CN disclosed
CN-102257070-B Layered silicate flame retardant compositions BASF SE 2013-10-09 CN disclosed
CN-102027056-B Basic stabilisation systems for emulsion polymerised rubbers BASF SE 2013-09-18 CN disclosed
CN-101838544-B Scale inhibitor of ethylene device gasoline stripping tower and using method thereof SHANGHAI LIANGTIAN CHEMICALS CO LTD 2013-09-11 CN disclosed
CN-102164998-B Blended phosphite or phosphonite compositions having improved hydrolytic stability CHEMTURA CORP 2013-08-14 CN disclosed
CN-86107859-A substituted phenol stabilizers 1987-05-27 CN disclosed
EP-0205398-A1 Additive for functional fluids CIBA-GEIGY AG (CH) 1986-12-17 EP disclosed
EP-0079855-A1 Alkylated hydroxyphenylthioalcanoic esters CIBA-GEIGY AG (CH) 1983-05-25 EP disclosed
WO-1983000333-A1 ANTI-HYPERTENSOR, HETEROCYCLICALLY DI-ORTHOSUBSTITUTED PHENOLS TEULON, JEAN-MARIE 1983-02-03 WO disclosed
EP-0070779-A2 Di-ortho-substituted phenols of which one of the substitutions is a heterocycle, process for their preparation, anti-hypertensive medicines containing them and synthesis intermediates CARPIBEM (CENTRE D'ACTIVITE ET DE RECHERCHE PHARMACEUTIQUE INDUSTRIELLE BIOLOGIQUE ET MEDICALE) Société Anonyme dite: (FR) 1983-01-26 EP disclosed
US-4115355-A SUBSTITUTED PHENOLS NIPPON ZEON CO. LTD. (JP) 1978-09-19 US disclosed