SCHEMBL559684

SCHEMBL559684

O=COC(=O)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PAM P19021 1/20 0.55
TSHR P16473 1/20 0.53
CES1 P23141 2/20 0.52
CES2 O00748 1/20 0.52
AKR1B1 P15121 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYP19A1 P11511 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 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
SCHEMBL9387870 0.98 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL163579 0.86 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1PAMTSHR
Methyl Alcohol SCHEMBL4364856 0.82 TSHR (0.53) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL705231 0.82 TSHR (0.56) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL31412244 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL2906366 0.80 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL14952781 0.80 TDP1 (0.63) ALDH1A1MAPK1SMN1; SMN2KMT2AHDAC8
SCHEMBL28725510 0.79 TSHR (0.53) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL2906457 0.79 TSHR (0.53) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL5267255 0.79 TSHR (0.50) ALDH1A1MAPK1L3MBTL1PAMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137617-B Oxa-azaspiro compounds with anti-pain activity 埃斯蒂文制药股份有限公司 2021-07-02 CN claimed
CN-108137617-A Oxa-azaspiro compounds with anti-pain activity 埃斯蒂文博士实验室股份有限公司 2018-06-08 CN claimed
EP-0000645-B1 ISOPENICILLINS, PROCESSES FOR THEIR PREPARATION, AND COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1981-01-28 EP claimed
US-4159267-A Novel silyl ester azetidine-2-sulfenate intermediates and process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1979-06-26 US claimed
US-4144333-A Monocyclic beta-lactams with antibacterial activity SMITHKLINE CORPORATION (US) 1979-03-13 US claimed
EP-0000645-A1 Isopenicillins, processes for their preparation, and compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1979-02-07 EP claimed
US-4122086-A Isopenicillins SMITHKLINE CORPORATION (US) 1978-10-24 US claimed
EP-4332089-A1 METHOD FOR PREPARING AMINO ACIDS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2024-03-06 EP disclosed
CN-104072132-B PZT ferro-electric film formation compositions and its preparation method and PZT ferro-electric films form method 三菱综合材料株式会社 2017-06-23 CN disclosed
CN-103443072-B Polymerizable composition comprising oxime sulfonate as thermal curing agent BASF SE (DE) 2016-05-18 CN disclosed
CN-105392851-A Security element and method for the production thereof BASF SE 2016-03-09 CN disclosed
CN-105358527-A Oxime ester photoinitiators BASF SE 2016-02-24 CN disclosed
CN-105339375-A Liquid bisacylphosphine oxide photoinitiators BASF SE 2016-02-17 CN disclosed
US-4065623-A O-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-12-27 US disclosed
US-4053286-A ACYLATION MERCK & CO., INC. (US) 1977-10-11 US disclosed
US-4032579-A POLY-UNSATURATED HYDROXY-ALKYNYL CYCLOPENTENOL THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY (US) 1977-06-28 US disclosed
US-4013648-A BETA-LACTAM ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1977-03-22 US disclosed
US-4012383-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1977-03-15 US disclosed
US-4011216-A Δ2,3-0-2-Isocephem-4-carboxylic acid and derivatives thereof as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-03-08 US disclosed
US-3944545-A Process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1976-03-16 US disclosed