SCHEMBL4584140

SCHEMBL4584140

C=C(c1ccccc1)c1cccs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.59
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
RAB9A P51151 6/20 0.52
DAO P14920 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
NPC1 O15118 5/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL9412769 1.00 HPGDS (0.59) HPGDSCES2CES1RAB9ADAO
SCHEMBL3933711 0.91 CES2 (0.56) HPGDSCES2CES1RAB9ADAO
SCHEMBL565974 0.84 CES2 (0.64) HPGDSCES2CES1RAB9ADAO
SCHEMBL5041581 0.83 MAPT (0.54) HPGDSCES2CES1RAB9ADAO
SCHEMBL8824111 0.83 CES2 (0.48) HPGDSCES2CES1RAB9ADAO
SCHEMBL28362305 0.82 KMT2A (0.48) HPGDSCES2CES1RAB9ADAO
SCHEMBL28632150 0.82 NPC1 (0.56) CES2CES1RAB9ADAORECQL
SCHEMBL5873384 0.81 CES2 (0.61) HPGDSCES2CES1RAB9ADAO
SCHEMBL4196929 0.81 CES2 (0.61) HPGDSCES2CES1RAB9ADAO
Ethylene SCHEMBL28075502 0.81 CES2 (0.61) HPGDSCES2CES1RAB9ADAO

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119191926-A Synthesis method of gamma-amino ketone 兰州大学 2024-12-27 CN disclosed
CN-113773227-B Method for preparing epsilon-, zeta-, eta-cyano carboxylic acid from carbon dioxide 常州大学 2023-07-25 CN disclosed
CN-114736088-A Method for oxidative cracking of olefin into ketone by photocatalysis 西安医学院 2022-07-12 CN disclosed
CN-113773227-A Method for preparing epsilon-, zeta-, eta-cyano carboxylic acid from carbon dioxide 常州大学 2021-12-10 CN disclosed
CN-107851730-A OLED 三星SDI株式会社 2018-03-27 CN disclosed
CN-101490862-B Polymer blends and their use in organic light emitting devices MERCK PATENT GMBH 2013-03-13 CN disclosed
CN-101490044-A 1,4-bis(2-thienylvinyl)benzol derivatives and their use MERCK PATENT GMBH (DE) 2009-07-22 CN disclosed
US-20080149160-A1 Photovoltaic Cell Based on Vectorial Electron Transfer LICENTIA OY (FI) 2008-06-26 US disclosed
EP-1790021-A1 PHOTOVOLTAIC CELL BASED ON VECTORIAL ELECTRON TRANSFER Licentia OY (FI) 2007-05-30 EP disclosed
WO-2006018475-A1 PHOTOVOLTAIC CELL BASED ON VECTORIAL ELECTRON TRANSFER LICENTIA OY (FI) 2006-02-23 WO disclosed
EP-0619313-A1 LITHIUM SALT OF 2-O-ALKYLASCORBIC ACID TSUMURA & CO. (JP) 1994-10-12 EP disclosed
EP-0202589-A2 Pharmaceutical compositions containing ascorbic acid derivatives Takeda Chemical Industries, Ltd. (JP) 1986-11-26 EP disclosed