SCHEMBL120227

SCHEMBL120227

COC(O[C]=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
THRB P10828 1/20 0.38
CYP3A4 P08684 1/20 0.36
EPHX1 P07099 1/20 0.34
ACP3 P15309 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2980266 1.00 KMT2A (0.39) KMT2ATHRBCYP3A4EPHX1ACP3
SCHEMBL27822368 0.80 CA1 (0.42) KMT2AACP3ALDH1A1GAATSHR
SCHEMBL6003200 0.80 ADRA2A (0.35) KMT2ATHRBALDH1A1LMNAADRA2A
SCHEMBL26689 0.79 KMT2A (0.44) KMT2ATHRBEPHX1IDO1TDO2
SCHEMBL27775233 0.79 THRB (0.38) KMT2ATHRBCYP3A4EPHX1IDO1
SCHEMBL7292294 0.79 L3MBTL1 (0.41) KMT2ALMNAL3MBTL1
SCHEMBL28489517 0.78 AOC3 (0.44) CYP3A4ALDH1A1L3MBTL1
SCHEMBL7644220 0.78 SLC6A4 (0.36) KMT2ALMNAADRA2AADRA2CTSHR
SCHEMBL8698025 0.77 LMNA (0.37) KMT2AALDH1A1LMNAADRA2AADRA2C
SCHEMBL1129750 0.77 CYP3A4 (0.49) KMT2ACYP3A4ALDH1A1LMNAHPGD

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 1635 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3714893-A1 CHEMICAL CROSSLINKERS Amicus Therapeutics, Inc. (US) 2020-09-30 EP claimed
CN-111187281-A Cephalosporin derivative containing guanidyl and preparation method thereof 广西科技大学 2020-05-22 CN claimed
EP-2976092-B1 CHEMICAL CROSSLINKERS AMICUS THERAPEUTICS INC (US) 2020-04-22 EP claimed
EP-3532475-A2 PROCESS FOR THE PREPARATION OF PYRAZOLO[1,5-a]PYRIMIDINES AND SALTS THEREOF Array Biopharma Inc. (US) 2019-09-04 EP claimed
WO-2019005796-A1 PROCESS FOR THE PREPARATION OF PYRAZOLO[1,5-a]PYRIMIDINES AND SALTS THEREOF ZHAO QIAN (US) 2019-01-03 WO claimed
WO-2018081417-A2 PROCESS FOR THE PREPARATION OF PYRAZOLO[1,5-a]PYRIMIDINES AND SALTS THEREOF ZHAO QIAN (US) 2018-05-03 WO claimed
CN-107530259-A Method using acid amides, acid or ester C glycosides derivatives processing keratin material and the cosmetic composition containing them 莱雅公司 2018-01-02 CN claimed
CN-104829632-B A kind of cephalosporins derivatives of the substituent containing aminodithioformic acid 中山大学 2017-09-29 CN claimed
CN-104530417-B A kind of multiple functionalized H types polyethyleneglycol derivative and preparation method thereof 厦门赛诺邦格生物科技股份有限公司 2017-09-08 CN claimed
CN-104530415-B A kind of different functionalization Y types polyethyleneglycol derivative, preparation method and its bio-related substance 厦门赛诺邦格生物科技股份有限公司 2017-09-01 CN claimed
WO-1994018329-A2 SERINE PROTEASE VARIANTS HAVING PEPTIDE LIGASE ACTIVITY GENENTECH, INC. (US) 1994-08-18 WO claimed
US-5319080-A Antiviral agents CIBA-GEIGY CORPORATION (US) 1994-06-07 US claimed
EP-0583338-A1 METHOD FOR SYNTHESIZING PEPTIDES, NOVEL AMINO ACID DERIVATIVES USED THEREIN, AND METHODS FOR PREPARING SAME. PROPEPTIDE SA (FR) 1994-02-23 EP claimed
US-5166341-A Selective antagonist of serotonin 3(5-HT3) receptor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-11-24 US claimed
WO-1992019643-A1 METHOD FOR SYNTHESIZING PEPTIDES, NOVEL AMINO ACID DERIVATIVES USED THEREIN, AND METHODS FOR PREPARING SAME PROPEPTIDE (FR) 1992-11-12 WO claimed
EP-0301877-A1 A method of deprotection of 3-amino azetidinones ELI LILLY AND COMPANY (US) 1989-02-01 EP claimed
EP-0268963-A1 Benzazolylthio-carbapenem antibiotics BAYER AG (DE) 1988-06-01 EP claimed
EP-0053962-B1 CEPHALOSPORIN DERIVATIVES AND THEIR PREPARATION RHONE-POULENC SANTE (FR) 1985-03-13 EP claimed
US-4393228-A THIOL PROTEASE INHIBITORS, ANTIINFLAMMATORY TAISHO PHARMACEUTICAL CO., LTD. (JP) 1983-07-12 US claimed
US-4180571-A Arylmalonamido-1-oxadethiacephalosporins SHIONOGI & CO., LTD. (JP) 1979-12-25 US claimed