SCHEMBL135667

SCHEMBL135667

CC(C)(O[C]=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 1/20 0.52
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
KCNN4 O15554 4/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
CYP2B6 P20813 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL9461 0.88 MAPK1 (0.43) MAPK1ALDH1A1ALOX15KMT2AMAPT
SCHEMBL1207238 0.83 PTGS2 (0.41) MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL1455249 0.83 ALDH1A1 (0.41) MAPK1ALDH1A1ALOX15KMT2AMAPT
SCHEMBL1455251 0.83 ALDH1A1 (0.41) MAPK1ALDH1A1ALOX15KMT2AMAPT
SCHEMBL11041133 0.83 PTPN1 (0.46) MAPK1ALDH1A1ALOX15CYP3A4
SCHEMBL131978 0.82 MAPK1 (0.44) MAPK1ALDH1A1ALOX15KMT2AMAPT
SCHEMBL138150 0.80 TSHR (0.46) MAPK1ALDH1A1ALOX15MAPTHDAC1
SCHEMBL1456484 0.78 CYP19A1 (0.41) MAPK1ALDH1A1ALOX15
SCHEMBL9210109 0.78 CYP2C19 (0.44) MAPK1ALDH1A1ALOX15KMT2AMAPT
SCHEMBL6394434 0.78 MAPK1 (0.41) MAPK1ALDH1A1ALOX15KMT2AMAPT

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 1279 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023151188-A1 GREEN SYNTHESIS METHOD OF ANTIVIRAL DRUG INTERMEDIATE 上海皓元医药股份有限公司 2023-08-17 WO claimed
CN-114671798-B Green synthesis method of antiviral drug intermediate 上海皓元医药股份有限公司 2022-08-16 CN claimed
CN-114671798-A Green synthesis method of antiviral drug intermediate 上海皓元医药股份有限公司 2022-06-28 CN claimed
EP-2788353-B1 CAGE AMINE LIGANDS FOR METALLO-RADIOPHARMACEUTICALS Clarity Pharmaceuticals Ltd (AU) 2022-05-18 EP claimed
CN-113429307-A Preparation method and application of stable isotope labeled glutamic acid and glutamic acid derivative 深圳鼎邦生物科技有限公司 2021-09-24 CN claimed
EP-3714893-A1 CHEMICAL CROSSLINKERS Amicus Therapeutics, Inc. (US) 2020-09-30 EP claimed
EP-2976092-B1 CHEMICAL CROSSLINKERS AMICUS THERAPEUTICS INC (US) 2020-04-22 EP claimed
US-20180185503-A1 CHEMICAL CROSSLINKERS AMICUS THERAPEUTICS, INC. (US) 2018-07-05 US claimed
EP-3233899-A1 A PROCESS FOR THE PREPARATION OF PASIREOTIDE Auro Peptides LTD (IN) 2017-10-25 EP claimed
WO-2016097962-A1 A PROCESS FOR THE PREPARATION OF PASIREOTIDE AURO PEPTIDES LTD (IN) 2016-06-23 WO claimed
EP-0518295-A2 Allyl side chain protection in peptide synthesis MILLIPORE CORPORATION (US) 1992-12-16 EP claimed
US-4935536-A TRIALKOXYBENZYL PROTECTED AMINO ACID MILLIPORE CORPORATION (US) 1990-06-19 US claimed
US-4855486-A Blocked, marked amino acids KALBAG SURESH M (US) 1989-08-08 US claimed
US-4826993-A Substituted diazolidinones ELI LILLY AND COMPANY (US) 1989-05-02 US claimed
US-4755558-A Using internal marker BECKMAN INSTRUMENTS, INC. (US) 1988-07-05 US claimed
US-4491541-A Peptides FARMITALIA CARLO ERBA 1985-01-01 US claimed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US claimed
US-4180571-A Arylmalonamido-1-oxadethiacephalosporins SHIONOGI & CO., LTD. (JP) 1979-12-25 US claimed
US-4012345-A POLYPEPTIDES WHICH INHIBIT SECRETION OF GROWTH HORMONE SOMATOTROPIN AMERICAN HOME PRODUCTS CORPORATION (US) 1977-03-15 US claimed
US-3997517-A PEPTIDE AMERICAN HOME PRODUCTS CORPORATION (US) 1976-12-14 US claimed