SCHEMBL5207997

SCHEMBL5207997

CC=COc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.52
TSHR P16473 1/20 0.52
NR1H2 P55055 1/20 0.46
BAX Q07812 1/20 0.46
MAOA P21397 1/20 0.46
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
PGR P06401 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
GSTP1 P09211 1/20 0.39
SOS1 Q07889 1/20 0.39
CA9 Q16790 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PLA2G2A P14555 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL8347164 0.91 CA4 (0.43) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL6202477 0.91 CA4 (0.43) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL5898125 0.91 CA4 (0.43) LTA4HTSHRNR1H2BAXMAOA
Ammonia Solution, Strong SCHEMBL30411567 0.89 CA4 (0.42) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL6938772 0.86 MAOB (0.47) LTA4HTSHRSMN1; SMN2LMNA
SCHEMBL6938774 0.86 MAOB (0.47) LTA4HTSHRSMN1; SMN2LMNA
SCHEMBL5612605 0.83 LMNA (0.39) TSHRCA1CA2LMNACA9
SCHEMBL16807837 0.83 CYP1A2 (0.40) CA1CA2SMN1; SMN2LMNACA9
SCHEMBL8695676 0.82 LTA4H (0.57) LTA4HTSHRNR1H2BAXMAOA
Ethylene Glycol SCHEMBL5047766 0.81 ALDH1A1 (0.43) LTA4HTSHRNR1H2BAXLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117280252-A Multifocal diffractive silicone hydrogel contact lenses 爱尔康公司 2023-12-22 CN claimed
CN-117280252-A Multifocal diffractive silicone hydrogel contact lenses 爱尔康公司 2023-12-22 CN disclosed
CN-116888193-A Polysiloxane vinyl cross-linking agent with high refractive index 爱尔康公司 2023-10-13 CN disclosed
EP-1040102-B1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2007-01-24 EP disclosed
EP-1194146-B1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2006-07-19 EP disclosed
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-1040102-A4 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-11-27 EP disclosed
EP-1194146-A4 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-07-31 EP disclosed
US-6399640-B1 ANTIDIABETIC AGENTS; ANTICHOLESTEROL AGENTS MERCK & CO., INC. 2002-06-04 US disclosed
EP-1194146-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2002-04-10 EP disclosed
US-6200998-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS; ANTICHOLESTEROL, ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. 2001-03-13 US disclosed
WO-2000078312-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 2000-12-28 WO disclosed
EP-1040102-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2000-10-04 EP disclosed
US-6008237-A POTENT AGONISTS OF PEROXIDSOME PROLIFERATOR ACTIVATED RECEPTOR; FOR CONTROLLING OR PREVENTING OF DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA, HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS, OBESITY, VASCULAR RESTENOSIS MERCK & CO., INC. (US) 1999-12-28 US disclosed
WO-1999032465-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 1999-07-01 WO disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed