SCHEMBL112486

SCHEMBL112486

[Li]CCC(C)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.48
HRH1 P35367 7/20 0.44
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
ADRA1A P35348 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KCNH2 Q12809 2/20 0.44
CACNA1F O60840 1/20 0.44
ADRA2B P18089 1/20 0.44
CHRM3 P20309 1/20 0.44
OPRK1 P41145 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN5A Q14524 1/20 0.44
CYP3A4 P08684 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
SMPD1 P17405 1/20 0.41

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
SCHEMBL28383629 0.84 TRPA1 (0.46) TRPA1HRH1CHRM2CHRM1ADRA1A
SCHEMBL22305164 0.81 TRPA1 (0.50) TRPA1HRH1CHRM2CHRM1ADRA1A
SCHEMBL28115578 0.78 MEN1 (0.47) TRPA1HRH1CHRM2CHRM1ADRA1A
SCHEMBL7766694 0.77 HRH1 (0.56) HRH1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL5085704 0.76 HRH1 (0.48) TRPA1HRH1CHRM2CHRM1ADRA1A
SCHEMBL5083303 0.74 HRH1 (0.47) TRPA1HRH1CHRM2CHRM1ADRA1A
SCHEMBL27540029 0.74 HRH1 (0.47) TRPA1HRH1CHRM2CHRM1ADRA1A
SCHEMBL9493121 0.72 HRH1 (0.54) TRPA1HRH1CHRM2CHRM1ADRA1A
SCHEMBL9838705 0.71 HTR2A (0.58) HRH1CHRM2CHRM1ADRA1ASLC6A3
Biphenyl SCHEMBL27522771 0.71 ALDH1A1 (0.38) TRPA1LMNACYP1A2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341828-A1 OPTICALLY ACTIVE POLYMER WITH EPOXIDE FUNCTIONS, METHOD FOR PREPARING SAME, AND USE THEREOF University Claude Bernard Lyon I (FR) 2003-09-10 EP claimed
WO-2002042346-A1 OPTICALLY ACTIVE POLYMER WITH EPOXIDE FUNCTIONS, METHOD FOR PREPARING SAME, AND USE THEREOF UNIVERSITY CLAUDE BERNARD LYON I (FR) 2002-05-30 WO claimed
EP-4376909-A1 INTERMITTENT CATHETERS ConvaTec Limited (GB) 2024-06-05 EP disclosed
CN-117362556-A Method for producing block polymer 日产化学株式会社 2024-01-09 CN disclosed
CN-113453898-B Active energy ray-crosslinkable thermoplastic polymer and composition containing same 株式会社可乐丽 2023-10-20 CN disclosed
CN-116670585-A Resist composition and resist pattern forming method 东京应化工业株式会社 2023-08-29 CN disclosed
CN-116583784-A Resist composition and resist pattern forming method 东京应化工业株式会社 2023-08-11 CN disclosed
CN-116472298-A Method for producing block copolymer 日本曹达株式会社 2023-07-21 CN disclosed
WO-2023007128-A1 INTERMITTENT CATHETERS CONVATEC LIMITED (GB) 2023-02-02 WO disclosed
CN-111356712-B (meth) acrylic block copolymer and active energy ray-curable composition containing same 株式会社可乐丽 2023-01-31 CN disclosed
CN-112739783-B Water-based ink, ink for inkjet recording, printed matter, and method for producing printed matter DIC株式会社 2022-11-01 CN disclosed
EP-2024470-A1 STAR POLYMER LUBRICATING COMPOSITION THE LUBRIZOL CORPORATION (US) 2009-02-18 EP disclosed
EP-2021442-A1 STAR POLYMER LUBRICATING COMPOSITION THE LUBRIZOL CORPORATION (US) 2009-02-11 EP disclosed
WO-2007127661-A1 STAR POLYMER LUBRICATING COMPOSITION THE LUBRIZOL CORPORATION (US) 2007-11-08 WO disclosed
WO-2007127663-A2 STAR POLYMER LUBRICATING COMPOSITION THE LUBRIZOL CORPORATION (US) 2007-11-08 WO disclosed
WO-2007127660-A1 STAR POLYMER LUBRICATING COMPOSITION THE LUBRIZOL CORPORATION (US) 2007-11-08 WO disclosed
WO-2007127615-A2 STAR POLYMER LUBRICATING COMPOSITION THE LUBRIZOL CORPORATION (US) 2007-11-08 WO disclosed
EP-1341828-A1 OPTICALLY ACTIVE POLYMER WITH EPOXIDE FUNCTIONS, METHOD FOR PREPARING SAME, AND USE THEREOF University Claude Bernard Lyon I (FR) 2003-09-10 EP disclosed
WO-2002042346-A1 OPTICALLY ACTIVE POLYMER WITH EPOXIDE FUNCTIONS, METHOD FOR PREPARING SAME, AND USE THEREOF UNIVERSITY CLAUDE BERNARD LYON I (FR) 2002-05-30 WO disclosed
EP-0562431-A1 Electro-optical device MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed