SCHEMBL303693

SCHEMBL303693

CCCCCSc1nc2ccc(N)cc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.60
ALDH1A1 P00352 7/20 0.57
MAPT P10636 5/20 0.57
HPGD P15428 1/20 0.57
SHMT2 P34897 1/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 2/20 0.56
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
STAT6 P42226 1/20 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
SCHEMBL617400 0.84 KEAP1 (0.69) KEAP1ALDH1A1MAPTHPGDSHMT2
Hydrochloric Acid SCHEMBL9097278 0.83 KEAP1 (0.53) KEAP1ALDH1A1MAPTHPGDSHMT2
SCHEMBL10531939 0.83 KEAP1 (0.52) KEAP1ALDH1A1MAPTHPGDSHMT2
SCHEMBL8355750 0.82 MAOB (0.56) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL10533354 0.82 MAPT (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL617539 0.81 MAPT (0.63) KEAP1ALDH1A1MAPTHPGDSHMT2
SCHEMBL10829908 0.80 MEN1 (0.61) KEAP1ALDH1A1MAPTHPGDSHMT2
SCHEMBL8357492 0.79 MAPT (0.62) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL14676613 0.79 MAOB (0.52) ALDH1A1MAPTHPGDSHMT2MEN1
SCHEMBL15501213 0.78 CYP1A2 (0.71) ALDH1A1HPGDMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177928-A1 PRODUCTION OF SQUALENE FROM HYPER-PRODUCING YEASTS NOVARTIS AG (CH) 2022-06-09 US claimed
US-11236366-B2 Production of squalene from hyper-producing yeasts NOVARTIS AG (CH) 2022-02-01 US claimed
EP-2369003-B1 PROCESS FOR PREPARING AN OIL-IN-WATER EMULSION CONTAINING SQUALENE FROM YEASTS NOVARTIS AG (CH) 2019-10-16 EP claimed
JP-2012500648-A 2012-01-12 JP claimed
US-20110243969-A1 PRODUCTION OF SQUALENE FROM HYPER-PRODUCING YEASTS NOVARTIS AG 2011-10-06 US claimed
EP-2369003-A1 Production of squalene from hyper-producing yeasts Novartis AG (CH) 2011-09-28 EP claimed
EP-2268823-B1 PRODUCTION OF SQUALENE FROM HYPER-PRODUCING YEASTS NOVARTIS AG (CH) 2011-06-22 EP claimed
EP-2268823-A2 PRODUCTION OF SQUALENE FROM HYPER-PRODUCING YEASTS Broeker, Michael (DE) 2011-01-05 EP claimed
WO-2010023551-A2 PRODUCTION OF SQUALENE FROM HYPER-PRODUCING YEASTS BROEKER MICHAEL (DE) 2010-03-04 WO claimed
WO-2002051393-A2 PROCESS TO INCREASE THE CONCENTRATION OF MEIOSIS-ACTIVATING STEROLS (MAS) IN THE CHOLESTEROL SYNTHESIS AND THE USE OF POTENT INHIBITORS IN THE PROCESS SCHERING AKTIENGESELLSCHAFT (DE) 2002-07-04 WO claimed
EP-1216701-A1 Process to increase the concentration of meiosis-activating sterols (MAS) in the cholesterol synthesis and the use of potent inhibitors in the process Schering Aktiengesellschaft (DE) 2002-06-26 EP claimed
CN-115463687-A Benzotrithiophene covalent organic framework catalyst and preparation method and application thereof 湖南大学 2022-12-13 CN disclosed
US-20220177928-A1 PRODUCTION OF SQUALENE FROM HYPER-PRODUCING YEASTS NOVARTIS AG (CH) 2022-06-09 US disclosed
US-11236366-B2 Production of squalene from hyper-producing yeasts NOVARTIS AG (CH) 2022-02-01 US disclosed
CN-105431542-B Production of squalene and/or sterol from cell suspensions of fermented yeast 赛诺菲-安万特德国有限公司 2020-04-07 CN disclosed
WO-2014139989-A1 PRODUCTION OF SQUALENE AND/OR STEROL FROM CELL SUSPENSIONS OF FERMENTED YEAST SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-09-18 WO disclosed
WO-2002051393-A2 PROCESS TO INCREASE THE CONCENTRATION OF MEIOSIS-ACTIVATING STEROLS (MAS) IN THE CHOLESTEROL SYNTHESIS AND THE USE OF POTENT INHIBITORS IN THE PROCESS SCHERING AKTIENGESELLSCHAFT (DE) 2002-07-04 WO disclosed
EP-1216701-A1 Process to increase the concentration of meiosis-activating sterols (MAS) in the cholesterol synthesis and the use of potent inhibitors in the process Schering Aktiengesellschaft (DE) 2002-06-26 EP disclosed
EP-0813595-A1 STIMULATION OF MEIOSIS NOVO NORDISK A/S (DK) 1997-12-29 EP disclosed
WO-1996027658-A1 STIMULATION OF MEIOSIS NOVO NORDISK A/S (DK) 1996-09-12 WO disclosed