SCHEMBL677613

SCHEMBL677613

CC1CCc2ccccc2C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.66
CYP19A1 P11511 3/20 0.51
CES1 P23141 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD2 P14416 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2A6 P11509 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 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
SCHEMBL10000875 1.00 ACHE (0.66) ACHECYP19A1CES1NPC1RAB9A
SCHEMBL12676173 1.00 ACHE (0.66) ACHECYP19A1CES1NPC1RAB9A
SCHEMBL25001243 1.00 ACHE (0.66) ACHECYP19A1CES1NPC1RAB9A
SCHEMBL677669 0.89 ACHE (0.61) ACHECYP19A1CES1NPC1RAB9A
SCHEMBL354925 0.79 ACHE (1.00) ACHECYP19A1TSHR
SCHEMBL4938272 0.79 ACHE (1.00) ACHECYP19A1TSHR
SCHEMBL9752693 0.79 ACHE (1.00) ACHECYP19A1TSHR
SCHEMBL13866434 0.79 ACHE (1.00) ACHECYP19A1TSHR
SCHEMBL13039620 0.79 DRD2 (0.56) ACHECYP19A1CES1DRD2HTR2A
SCHEMBL28793725 0.78 ACHE (0.44) ACHEALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563167-B Preparation method of 2-methyl-1-tetralone 南通华祥医药科技有限公司 2023-09-08 CN claimed
CN-113185433-B Preparation method of menadione sodium bisulfate 新发药业有限公司 2023-09-08 CN claimed
CN-113563167-A Preparation method of 2-methyl-1-tetralone 南通华祥医药科技有限公司 2021-10-29 CN claimed
US-4493904-A COORDINATION, POLYMERIZATION CATALYST CONTAINING TITANIUM TRICHORI CONOCO INC. (US) 1985-01-15 US claimed
EP-3902878-B1 PHOTOINITIATORS IGM RESINS ITALIA SRL (IT) 2026-05-06 EP disclosed
CN-115974850-B Compound serving as AKR1C3 inhibitor as well as preparation method and application thereof 中国药科大学 2024-08-06 CN disclosed
CN-118373842-A Alpha/beta-functionalized alkylsilane-based peroxide, method for free radical conversion under Fe catalysis and application thereof 广东工业大学 2024-07-23 CN disclosed
US-11834532-B2 Photoinitiators IGH RESINS ITALIA S.R.L. (IT) 2023-12-05 US disclosed
CN-117142938-A Method for preparing 1, 4-naphthoquinone compound by selectively oxidizing aromatic ketone 大连理工大学 2023-12-01 CN disclosed
CN-113563167-B Preparation method of 2-methyl-1-tetralone 南通华祥医药科技有限公司 2023-09-08 CN disclosed
CN-113185433-B Preparation method of menadione sodium bisulfate 新发药业有限公司 2023-09-08 CN disclosed
CN-113185433-B Preparation method of menadione sodium bisulfate 新发药业有限公司 2023-09-08 CN disclosed
EP-0181145-A2 Heterocyclic compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-05-14 EP disclosed
US-4510321-A Autoxidative cleavage of ketones in the presence of pulverized alkali metal hydroxide ALLIED CORPORATION (US) 1985-04-09 US disclosed
US-4493904-A COORDINATION, POLYMERIZATION CATALYST CONTAINING TITANIUM TRICHORI CONOCO INC. (US) 1985-01-15 US disclosed
US-4415714-A INCORPORATING AN ETHER IN A TITANIUM TRICHLORIDE-ORGANO ALUMINUM COORDINATION CATLAYSTS; HIGH MOLECULAR WEIGHT ADDITION POLYMERS CONOCO INC. (US) 1983-11-15 US disclosed
US-4355180-A Preparation of primary aromatic amines from cyclic alcohols and/or ketones BASF AKTIENGESELLSCHAFT (DE) 1982-10-19 US disclosed
EP-0050229-A1 Process for the preparation of primary aromatic amines from cyclic alcohols and/or ketones BASF Aktiengesellschaft (DE) 1982-04-28 EP disclosed
US-4016281-A Tetralone and indanone compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-04-05 US disclosed
US-3987055-A AZASTEROIDS COMPOUNDS AND DERIVATIVES THE BOARD OF REGENTS FOR THE OKLAHOMA AGRICULTURAL & MECHANICAL COLLEGES ACTING FOR AND ON BEHALF OF OKLAHOMA STATE UNIVERSITY OF AGRICULTURE AND APPLIED SCIENCE (US) 1976-10-19 US disclosed