SCHEMBL547450

SCHEMBL547450

O=COc1occ2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAOB P27338 3/20 0.37
MAOA P21397 1/20 0.37
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ERN1 O75460 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PARP1 P09874 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL28244381 0.78 ALDH1A1 (0.35) TDP1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL6001561 0.77 ALDH1A1 (0.38) PTPN1POLBMEN1KMT2AMAPT
SCHEMBL98430 0.74 PTPN1 (0.42) PTPN1POLBMEN1KMT2AMAOB
SCHEMBL29529441 0.74 ALDH1A1 (0.41) POLBMAOBMAPTRAB9ASMN1; SMN2
SCHEMBL27560293 0.73 ALDH1A1 (0.31) TDP1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL10372125 0.73 MAOA (0.44) MAOBMAOAMAPTNPC1RAB9A
SCHEMBL28819355 0.73 SRC (0.33) PTPN1POLBMEN1KMT2AL3MBTL1
SCHEMBL27626197 0.72 PTPN1 (0.41) PTPN1POLBMEN1KMT2AMAOB
SCHEMBL6013736 0.71 HSD17B10 (0.33) PTPN1POLBMEN1KMT2ATDP1
SCHEMBL10944396 0.70 HSD17B10 (0.37) MEN1KMT2AMAOBL3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894459-B 2-Benzofuran carboxylic acid derivative and preparation method and application thereof 中国药科大学 2025-05-27 CN claimed
CN-115894459-A 2-benzofuran carboxylic acid derivative and preparation method and application thereof 中国药科大学 2023-04-04 CN claimed
US-5663029-A DEVELOPMENT OF LATENT IMAGE, TRANSFERRING TO FORM RECORDING SHEETS, COATING A SUBSTRATE USING POLYMERS XEROX CORPORATION (US) 1997-09-02 US claimed
CN-115894459-B 2-Benzofuran carboxylic acid derivative and preparation method and application thereof 中国药科大学 2025-05-27 CN disclosed
CN-115894459-B 2-Benzofuran carboxylic acid derivative and preparation method and application thereof 中国药科大学 2025-05-27 CN disclosed
CN-115894459-B 2-Benzofuran carboxylic acid derivative and preparation method and application thereof 中国药科大学 2025-05-27 CN disclosed
CN-117616032-A Rare earth complex 东曹株式会社 2024-02-27 CN disclosed
CN-115894459-A 2-benzofuran carboxylic acid derivative and preparation method and application thereof 中国药科大学 2023-04-04 CN disclosed
CN-115894459-A 2-benzofuran carboxylic acid derivative and preparation method and application thereof 中国药科大学 2023-04-04 CN disclosed
CN-115894459-A 2-benzofuran carboxylic acid derivative and preparation method and application thereof 中国药科大学 2023-04-04 CN disclosed
CN-110183341-A 1,2- dicarbapentaborane class compound and its synthetic method 华东师范大学 2019-08-30 CN disclosed
EP-1140897-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-04-03 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
EP-1140897-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-10-10 EP disclosed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO disclosed
WO-2000039115-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed
US-5866589-A Alkyl substituted piperadinyl and piperazinyl anti-AIDS compounds PHARMACIA & UPJOHN COMPANY (US) 1999-02-02 US disclosed
WO-1996018628-A1 ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 1996-06-20 WO disclosed
US-5506245-A TREATMENT OF INSULIN-RESISTANT AND/OR NON INSULIN-DEPENDENT DIABETES ADIR ET COMPAGNIE (FR) 1996-04-09 US disclosed
EP-0492136-A2 Retroviral protease inhibitors derived from 3-chloro-2-chloromethyl-1-propene AMERICAN CYANAMID COMPANY (US) 1992-07-01 EP disclosed