SCHEMBL4580879

SCHEMBL4580879

[c]1cc[c]c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
CYP2A6 P11509 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2B6 P20813 1/20 0.36
HSD17B10 Q99714 3/20 0.35
BCL2L1 Q07817 2/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NOTUM Q6P988 1/20 0.35
MMP3 P08254 1/20 0.35
ALOX5 P09917 1/20 0.35
BACE1 P56817 1/20 0.33

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
SCHEMBL185890 0.76 ALDH1A1 (0.41) ALDH1A1MAPK1CYP2A6HSD17B10BCL2L1
SCHEMBL11705130 0.75 ALDH1A1 (0.44) ALDH1A1MAPK1RAB9AMAPTTDP1
SCHEMBL3607306 0.75 ALDH1A1 (0.35) ALDH1A1MAPK1RAB9ANPC1MEN1
SCHEMBL6607387 0.75 ALDH1A1 (0.46) ALDH1A1MAPK1RAB9ANPC1HSD17B10
SCHEMBL981110 0.75 TSHR (0.39) ALDH1A1RAB9ANPC1CYP2A6CYP2B6
SCHEMBL6607475 0.75 CYP3A4 (0.46) ALDH1A1RAB9ANPC1HSD17B10CYP1A2
SCHEMBL4790399 0.75 CYP2A6 (0.44) ALDH1A1RAB9ANPC1CYP2A6CYP1A2
SCHEMBL617580 0.73 ALDH1A1 (0.53) ALDH1A1MAPK1RAB9ANPC1CYP2A6
SCHEMBL9503298 0.71 MEN1 (0.35) ALDH1A1MAPK1RAB9ANPC1HSD17B10
SCHEMBL4855476 0.69 ALDH1A1 (0.47) ALDH1A1MAPK1RAB9ANPC1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108250434-A Aromatic amine formic acid esters through isocyanates as predecessor through catalytic thermal response path to prepare the method for amide or polyamide 大东树脂化学股份有限公司 2018-07-06 CN claimed
JP-62281382-A None JP disclosed
WO-2023247199-A1 DIENE RUBBER COMPOSITION COMPRISING A POLYNITRONE COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2023-12-28 WO disclosed
CN-113501812-B Triarylamine compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2022-10-14 CN disclosed
CN-113501812-A Triarylamine compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2021-10-15 CN disclosed
CN-110581224-A Amine compound and organic light emitting device including the same 三星显示有限公司 2019-12-17 CN disclosed
CN-110198971-A METHOD FOR PRODUCING ACRYLIC RUBBER 日本瑞翁株式会社 2019-09-03 CN disclosed
CN-110187037-A The measurement system and method for 57 kinds of volatile organic contents in surrounding air 山东大学 2019-08-30 CN disclosed
CN-105924638-B A method of removing impurity in poly- 2,6- diphenyl p-phenylene 派瑞科技有限公司 2019-01-18 CN disclosed
CN-108350295-A UV curable ink-jet inks 爱克发有限公司 2018-07-31 CN disclosed
US-20030113943-A1 System and method for determining and controlling contamination EXTRACTION SYSTEMS, INC. 2003-06-19 US disclosed
US-20030068834-A1 System and method for determining and controlling contamination EXTRACTION SYSTEMS, INC. 2003-04-10 US disclosed
WO-2003026774-A1 SYSTEM AND METHOD FOR DETERMINING AND CONTROLLING CONTAMINATION EXTRACTION SYSTEMS, INC. (US) 2003-04-03 WO disclosed
US-20020161174-A1 Aromatic polymer phosphonic acid derivative and process for production the same SUMITOMO CHEMICAL COMPANY, LIMITED 2002-10-31 US disclosed
EP-1238998-A1 Aromatic polyether containing phosphonate groups and a process for the manufacture thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-09-11 EP disclosed
US-6132852-A LAMINATE OF POLYMER CONDUCTOR AND DIELECTRIC HITACHI, LTD. (JP) 2000-10-17 US disclosed
EP-0380517-B1 THERMALLY STABLE FORMS OF ELECTRICALLY CONDUCTIVE POLYANILINE ALLIED SIGNAL INC (US) 1994-12-21 EP disclosed
EP-0200185-B1 THERMOPLASTIC MOULDING MASS BASF Aktiengesellschaft (DE) 1988-11-30 EP disclosed
JP-S62281382-A COMPOSITE PIEZOELECTRIC MATERIAL AND MANUFACTURE THEREOF MEIDENSHA ELECTRIC MFG CO LTD 1987-12-07 JP disclosed
US-4151343-A High unsaturation butyl rubbers EXXON RESEARCH & ENGINEERING CO. (US) 1979-04-24 US disclosed