SCHEMBL126703

SCHEMBL126703

[CH2]c1ccc(OC)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA14 Q9ULX7 2/20 0.62
CYP1A2 P05177 9/20 0.54
CYP1A1 P04798 8/20 0.54
CYP1B1 Q16678 8/20 0.54
ALDH1A1 P00352 6/20 0.54
CYP3A4 P08684 4/20 0.54
CYP2C19 P33261 3/20 0.48
CYP2E1 P05181 2/20 0.48
CYP2C8 P10632 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2A6 P11509 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP4B1 P13584 2/20 0.48
CYP2B6 P20813 2/20 0.48
CYP3A5 P20815 2/20 0.48

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
Dimethylformamide SCHEMBL28275726 0.85 ALDH1A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL5957269 0.84 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL10980280 0.81 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL10983336 0.81 NQO1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL3027958 0.81 GPR3 (0.43) CA12CA1CA2CA7CA9
SCHEMBL8192775 0.81 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL232793 0.81 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL28158455 0.80 CA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL9782939 0.78 THRA (0.46) CA12CA1CA2CA7CA9
SCHEMBL27404637 0.78 MAPK1 (0.44) CA12CA1CA2CA7CA9

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

Appears in 11075 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024149366-A1 METHOD FOR PREPARING INTERMEDIATE OF ROCK INHIBITOR 武汉朗来科技发展有限公司 2024-07-18 WO claimed
CN-110799520-B Method for synthesizing peptides containing N-substituted amino acids 中外制药株式会社 2024-07-12 CN claimed
CN-118324695-A Method for selectively preparing quinoline-2-ketone or 3, 4-dihydro-quinoline-2-ketone compound under regulation of photocatalyst 浙江工业大学 2024-07-12 CN claimed
EP-4397663-A1 6-AMINOPYRAZOLOPYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2024-07-10 EP claimed
EP-4393920-A1 AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-07-03 EP claimed
US-20240209009-A1 PEPTIDES COMPRISING A PHOSPHORYLCHOLINE CONJUGATE AND METHODS OF SYNTHESIZING SAME TARSIER PHARMA LTD. (IL) 2024-06-27 US claimed
CN-113321600-B Process for preparing chiral biaryl-substituted 4-amino-butanoic acid and derivatives thereof 四川科伦药物研究院有限公司 2024-06-14 CN claimed
WO-2024120505-A1 FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF, AND USE THEREOF 上海枢境生物科技有限公司 2024-06-13 WO claimed
WO-2024114318-A1 DRUG LINKER COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-06-06 WO claimed
WO-2024114531-A1 HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-06-06 WO claimed
US-4257947-A INTERMEDIATES FOR ANTIBACTERIAL CEPHALOSPORINS SMITHKLINE CORPORATION (US) 1981-03-24 US claimed
EP-0023097-A1 De-arylmethylation of N-mono- or N-diarylmethyl-beta-lactams; novel azetizinones having anti-bacterial activity SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-01-28 EP claimed
US-4166816-A CYCLIZATION SMITHKLINE CORPORATION (US) 1979-09-04 US claimed
US-4162250-A INTERMEDIATES FOR BACTERICIDES SMITHKLINE CORPORATION (US) 1979-07-24 US claimed
US-4122254-A Process for preparing auranofin SMITHKLINE CORPORATION (US) 1978-10-24 US claimed
US-4117117-A TRIDECAPETIDE HAVING GASTRIN EFFECT MAX PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN (DE) 1978-09-26 US claimed
US-4085100-A Intermediate for dephthaloylation of azetidinone compounds SMITHKLINE CORPORATION (US) 1978-04-18 US claimed
US-4076718-A 2,6-Pyridinediyl-bis-tetrazol-5-carboxamides AMERICAN HOME PRODUCTS CORPORATION (US) 1978-02-28 US claimed
US-4072674-A FOR CEPHALOSPORIN CONGENERS SMITHKLINE CORPORATION (US) 1978-02-07 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed