SCHEMBL540

SCHEMBL540

COc1ccccc1C1=NC(C)(C)CO1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 5/20 0.41
ATM Q13315 2/20 0.41
HTT P42858 1/20 0.41
XDH P47989 1/20 0.40
APP P05067 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
PPARG P37231 1/20 0.38
KMT2A Q03164 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL29527964 1.00 KDM4E (0.50) KDM4EALDH1A1ATMHTTXDH
SCHEMBL10737493 0.94 KDM4E (0.47) KDM4EALDH1A1ATMHTTXDH
SCHEMBL9702416 0.86 KDM4E (0.50) KDM4EALDH1A1ATMHTT
SCHEMBL6299778 0.86 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HPGDNPC1
Quinoline SCHEMBL27304819 0.86 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL11500095 0.85 KDM4E (0.40) KDM4EALDH1A1L3MBTL1SMN1; SMN2HPGD
SCHEMBL11487649 0.84 KDM4E (0.46) KDM4EALDH1A1ATMHTTL3MBTL1
SCHEMBL18380643 0.84 KDM4E (0.61) KDM4EALDH1A1ATMHTTHPGD
SCHEMBL29616919 0.84 KDM4E (0.61) KDM4EALDH1A1ATMHTTHPGD
SCHEMBL8491858 0.83 KDM4E (0.47) KDM4EALDH1A1ATMHTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003066565-A1 DEUTERATED BIPHENYL DERIVATIVES TURICUM DRUG DEVELOPMENT AG (CH) 2003-08-14 WO claimed
EP-0627433-B1 PROCESS FOR PRODUCING IMIDAZOPYRIDINE DERIVATIVE AND INTERMEDIATE EISAI CO LTD (JP) 2003-03-05 EP claimed
JP-5194302-A None JP disclosed
WO-2024159724-A1 O-BIPHENYL OXAZOLINE COMPOUND AND SYNTHESIS METHOD THEREFOR 科莱博(江苏)科技股份有限公司 2024-08-08 WO disclosed
US-11987928-B2 Fabric coating compositions HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2024-05-21 US disclosed
US-11939455-B2 Polyolefin formulation with poly(2-alkyl-2-oxazoline) DOW GLOBAL TECHNOLOGIES LLC (US) 2024-03-26 US disclosed
CN-112166151-B Polyolefin formulation with poly (2-alkyl-2-oxazolines) 陶氏环球技术有限责任公司 2023-09-08 CN disclosed
US-20220136170-A1 FABRIC COATING COMPOSITIONS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2022-05-05 US disclosed
CN-114269982-A Fabric coating composition 惠普发展公司,有限责任合伙企业 2022-04-01 CN disclosed
EP-3908690-A1 FABRIC COATING COMPOSITIONS Hewlett-Packard Development Company, L.P. (US) 2021-11-17 EP disclosed
US-20210221983-A1 POLYOLEFIN FORMULATION WITH POLY(2-ALKYL-2-OXAZOLINE) DOW GLOBAL TECHNOLOGIES LLC 2021-07-22 US disclosed
EP-0059983-B1 SUBSTITUTED BIPHENYL COMPOUNDS FOR USE AS A MEDICAMENT THE WELLCOME FOUNDATION LIMITED (GB) 1986-06-11 EP disclosed
US-4578522-A CHEMICAL INTERMEDIATES FOR BLOOD LIPID CONTROLLING COMPOUNDS BURROUGHS WELLCOME CO. 1986-03-25 US disclosed
US-4567289-A ANTICHOLESTEROL ANTILIPEMIC MERCK & CO., INC. (US) 1986-01-28 US disclosed
EP-0168902-A1 Leukotriene antagonists SMITHKLINE BECKMAN CORPORATION (US) 1986-01-22 EP disclosed
US-4515792-A Tetracyclic heterocycles and antidepressant compositions thereof CIBA-GEIGY CORPORATION (US) 1985-05-07 US disclosed
US-4459422-A Substituted pyranone inhibitors of cholesterol synthesis MERCK & CO., INC. (US) 1984-07-10 US disclosed
US-4375475-A ANTICHOLESTEROL AGENTS MERCK & CO., INC. (US) 1983-03-01 US disclosed
EP-0059983-A1 Substituted biphenyl compounds for use as a medicament THE WELLCOME FOUNDATION LIMITED (GB) 1982-09-15 EP disclosed
EP-0024348-A1 Substituted 6-Phenethyl-and phenylethenyl-3,4,5,6-tetrahydro-4-hydroxytetraydropyran-2-ones in the4-R trans stereoisomeric forms and the corresponding dihydroxy acids, process for preparing and pharmaceutical composition comprising them MERCK & CO. INC. (US) 1981-03-04 EP disclosed