SCHEMBL5152800

SCHEMBL5152800

CCC(=O)Oc1cccc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.61
MAPT P10636 3/20 0.53
CYP1A2 P05177 2/20 0.53
GAA P10253 2/20 0.53
RECQL P46063 2/20 0.53
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
ELANE P08246 1/20 0.47
ESR1 P03372 2/20 0.47
HIF1A Q16665 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44

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
SCHEMBL31263809 1.00 ACHE (0.61) ACHEMAPTCYP1A2GAARECQL
SCHEMBL10782553 0.87 ACHE (0.71) ACHEMAPTGAARECQLKMT2A
SCHEMBL8005518 0.86 GAA (0.50) ACHEMAPTCYP1A2GAARECQL
SCHEMBL11444965 0.85 ACHE (0.69) ACHEMAPTGAARECQLKMT2A
SCHEMBL25287220 0.84 KMT2A (0.53) ACHEMAPTCYP1A2GAARECQL
SCHEMBL6699057 0.84 KMT2A (0.53) ACHEMAPTCYP1A2GAARECQL
SCHEMBL6298063 0.83 KMT2A (0.50) ACHEMAPTCYP1A2GAARECQL
SCHEMBL10431488 0.82 KMT2A (0.54) MAPTCYP1A2GAARECQLKMT2A
SCHEMBL27949963 0.82 GAA (0.50) ACHEMAPTCYP1A2GAARECQL
Butane SCHEMBL4836967 0.82 KMT2A (0.52) ACHEMAPTCYP1A2GAARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083573-A Organic ligand and preparation method, quantum dot, quantum dot layer and Light-Emitting Diode 京东方科技集团股份有限公司 2016-11-09 CN claimed
CN-119053587-A 5- [7- (3, 4-Dihydro-1H-isoquinoline-2-carbonyl) -1,2,3,4 tetrahydroisoquinolin-6-yl ] -1H-pyrrole-3-carboxamide derivatives, pharmaceutical compositions containing same and use thereof as pro-apoptotic agents 法国施维雅药厂 2024-11-29 CN disclosed
CN-111909108-B Biphenyl compound and preparation method and medical application thereof 中国药科大学 2023-05-02 CN disclosed
CN-115637275-A Preparation method of (S) -2- (4-bromophenyl) propionic acid 天津药明康德新药开发有限公司 2023-01-24 CN disclosed
CN-115141197-A 3-aromatic heterocyclic substituted phenyl derivative and preparation method and application thereof 安徽医科大学 2022-10-04 CN disclosed
WO-2021036495-A1 NOVEL PHENYLACETIC ACID DERIVATIVE, PREPARATION METHOD THEREOF AND USE THEREOF AS DRUG 广东药科大学 2021-03-04 WO disclosed
EP-3697792-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE Sunshine Lake Pharma Co., Ltd. (CN) 2020-08-26 EP disclosed
WO-2019076310-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-04-25 WO disclosed
CN-109311838-A The biosynthesis of cannboid prodrug 蒂温诺特技术有限公司 2019-02-05 CN disclosed
CN-106946682-A A kind of preparation method of propine acid compounds 大连理工大学 2017-07-14 CN disclosed
WO-1999059526-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 WO disclosed
EP-0934291-A4 SMITHKLINE BEECHAM CORP (US) 1999-08-11 EP disclosed
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
US-5919768-A COMPOUNDS WHICH INHIBIT BINDING OF SELECTINS TO SIALYL-LEWIS-X AND SIALYL-LEWIS-A CARBOHYDRATES TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-07-06 US disclosed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO disclosed
EP-0840606-A1 DI- AND TRIVALENT SMALL MOLECULE SELECTIN INHIBITORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-05-13 EP disclosed
EP-0840606-A4 1998-05-13 EP disclosed
CN-1151117-A Binding of E-selectin, P-selectin or L-selectin to sialyl-Lewis(x) or sialyl-lewis(a) TAXAS BIOTECHNOLOGY CORP (US) 1997-06-04 CN disclosed
WO-1997016433-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 WO disclosed
WO-1997001335-A1 DI- AND TRIVALENT SMALL MOLECULE SELECTIN INHIBITORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-01-16 WO disclosed