SCHEMBL3246728

SCHEMBL3246728

COC(=O)Oc1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47
KMT2A Q03164 8/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN7 P35236 1/20 0.38

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
SCHEMBL16196732 0.87 MMP1 (0.53) MMP1MMP9MMP12KMT2ACES2
SCHEMBL7524679 0.83 MMP1 (0.50) MMP1MMP9MMP12KMT2ACES2
SCHEMBL28578307 0.79 ELANE (0.46) MMP1MMP9MMP12KMT2ACES2
SCHEMBL10973674 0.79 MMP1 (0.44) MMP1MMP9MMP12KMT2AHPGD
SCHEMBL1884481 0.79
SCHEMBL28778171 0.79 MMP1 (0.54) MMP1MMP9MMP12KMT2ACES2
SCHEMBL7024452 0.79 MMP1 (0.53) MMP1MMP9MMP12KMT2ACES2
SCHEMBL2014284 0.78 MMP1 (0.46) MMP1MMP9MMP12KMT2ACES2
SCHEMBL27911915 0.78 POLB (0.47) MMP1MMP9MMP12KMT2ACES2
Water SCHEMBL10938023 0.78 MMP1 (0.53) MMP1MMP9MMP12KMT2ACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791124-B1 METHOD FOR MANUFACTURING COMPOUNDS INCLUDING NITRILE FUNCTIONS RHODIA OPERATIONS (FR) 2017-06-07 EP claimed
EP-0731648-B1 FLAVOURING COMPOSITIONS AND METHOD FIRMENICH & CIE (CH) 2003-03-26 EP claimed
CN-111825611-B 4(1H) -quinovone derivatives and uses thereof 刘扶东 2022-09-09 CN disclosed
CN-114945572-A HBF pharmacological inducing compounds for the treatment of sickle cell anemia and beta-thalassemia 刘扶东 2022-08-26 CN disclosed
EP-1418176-B1 Pyrazole derivates, their preparation and their use in drugs SANOFI AVENTIS DEUTSCHLAND (DE) 2010-04-28 EP disclosed
EP-1250316-B1 METHOD FOR PRODUCING N-ALKOXY-N-ALKYLAMIDES LONZA AG (CH) 2004-12-29 EP disclosed
EP-1418176-A1 Pyrazole derivates, their preparation and their use in drugs Aventis Pharma Deutschland GmbH (DE) 2004-05-12 EP disclosed
EP-1401807-A1 STABILIZED PEROXYDICARBONATE PREPARATION Peroxid-Chemie GmbH & Co. KG. (DE) 2004-03-31 EP disclosed
EP-0908456-B1 Pyrazole derivatives, their preparation and their use in drugs AVENTIS PHARMA GMBH (DE) 2003-12-17 EP disclosed
WO-2003002527-A1 STABILIZED PEROXYDICARBONATE PREPARATION PEROXID-CHEMIE GMBH & CO. KG (DE) 2003-01-09 WO disclosed
EP-1250316-A1 METHOD FOR PRODUCING N-ALKOXY-N-ALKYLAMIDES Lonza AG (CH) 2002-10-23 EP disclosed
WO-2001055096-A1 METHOD FOR PRODUCING N-ALKOXY-N-ALKYLAMIDES LONZA AG (CH) 2001-08-02 WO disclosed
EP-0908456-A1 Pyrazole derivatives, their preparation and their use in drugs Hoechst Marion Roussel Deutschland GmbH (DE) 1999-04-14 EP disclosed