SCHEMBL3022980

SCHEMBL3022980

COOC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
KCNN4 O15554 5/20 0.41
KIF11 P52732 1/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.38
CES1 P23141 1/20 0.38
CA4 P22748 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL18429814 0.87 CA4 (0.50) MAPK1KIF11CES1CA4
SCHEMBL297786 0.83 MAPK1 (0.52) MAPK1KCNN4KIF11ALDH1A1ALOX15
SCHEMBL5914847 0.81 MAPK1 (0.39) MAPK1KCNN4KIF11ALDH1A1ALOX15
SCHEMBL5583968 0.80 CA1 (0.43) MAPK1KIF11ALDH1A1MEN1KMT2A
SCHEMBL7873640 0.79 MAPK1 (0.50) MAPK1KCNN4ALDH1A1ALOX15KMT2A
SCHEMBL11558547 0.78 MAPK1 (0.48) MAPK1KCNN4KIF11ALDH1A1ALOX15
Methoxytriphenylmethane SCHEMBL9103 0.78 MAPK1 (0.48) MAPK1KCNN4KIF11ALDH1A1ALOX15
SCHEMBL7873647 0.77 MAPK1 (0.54) MAPK1KCNN4ALDH1A1ALOX15KMT2A
SCHEMBL9508370 0.77 MAPK1 (0.76) MAPK1KCNN4ALDH1A1ALOX15KMT2A
SCHEMBL11639499 0.77 MAPK1 (0.54) MAPK1KCNN4KIF11ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109705124-A A kind of labeled with radioactive fluorine Larotrectinib compound and preparation method thereof 上海健康医学院 2019-05-03 CN claimed
CN-1117760-C Lysosomal enzyme-cleavable antitumor drug conjugates BRISTOL MYERS SQUIBB CO (US) 2003-08-13 CN claimed
CN-1100426-A Lysosomal enzyme-cleavable antitumor drug conjugates BRISTOL MYERS SQUIBB CO (US) 1995-03-22 CN claimed
US-20240018489-A1 BIOCATALYSTS FOR THE PREPARATION OF HYDROXY SUBSTITUTED CARBAMATES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2024-01-18 US disclosed
US-11713451-B2 Biocatalysts for the preparation of hydroxy substituted carbamates CODEXIS, INC. (US) 2023-08-01 US disclosed
US-20210071151-A1 BIOCATALYSTS FOR THE PREPARATION OF HYDROXY SUBSTITUTED CARBAMATES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2021-03-11 US disclosed
US-10851351-B2 Biocatalysts for the preparation of hydroxy substituted carbamates CODEXIS, INC. (US) 2020-12-01 US disclosed
EP-2780448-B1 BIOCATALYSTS FOR THE PREPARATION OF HYDROXY SUBSTITUTED CARBAMATES CODEXIS INC (US) 2019-09-11 EP disclosed
US-20190177702-A1 BIOCATALYSTS FOR THE PREPARATION OF HYDROXY SUBSTITUTED CARBAMATES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2019-06-13 US disclosed
CN-109705124-A A kind of labeled with radioactive fluorine Larotrectinib compound and preparation method thereof 上海健康医学院 2019-05-03 CN disclosed
US-10253303-B2 Biocatalysts for the preparation of hydroxy substituted carbamates CODEXIS, INC. (US) 2019-04-09 US disclosed
WO-2008019784-A2 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-02-21 WO disclosed
WO-2008011033-A2 SYNTHESIS OF ISOTOPICALLY LABELED ALPHA-KETO ACIDS AND ESTERS SPECTRA GASES, INC. (US) 2008-01-24 WO disclosed
WO-2006098705-A1 PROCESS FOR PRODUCING BIPHENYL-TETRAZOLE COMPOUNDS ULKAR KIMYA SANAYII VE TICARET AS (TR) 2006-09-21 WO disclosed
EP-1447408-A1 Amino acid loaded trityl alcohol resins, method of production of amino acid loaded trityl alcohol resins and therapeutics produced therewith Rohm and Haas Company (US) 2004-08-18 EP disclosed
US-20040158037-A1 Amino acid loaded trityl alcohol resins, method of production of amino acid loaded trityl alcohol resins and biologically active substances and therapeutics produced therewith BOHLING JAMES CHARLES (US) 2004-08-12 US disclosed
CN-87105787-A The thermostability enzyme of purifying and with its increase, the method for detection and/or cloning nucleic acid sequences 1988-05-11 CN disclosed
CN-87101691-A Carbocyclic purine nucleosides, their preparation and application 1987-10-07 CN disclosed
US-4152524-A BRONCHODILATORS, HYPOTENSIVE AMERICAN CYANAMID COMPANY (US) 1979-05-01 US disclosed
US-4076947-A BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTIULCER AGENTS AMERICAN CYANAMID COMPANY (US) 1978-02-28 US disclosed