SCHEMBL430689

SCHEMBL430689

OCC(Nc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.54
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
JAK3 P52333 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
ROCK2 O75116 3/20 0.45
ROCK1 Q13464 3/20 0.45
RIPK1 Q13546 1/20 0.45
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK13 O15264 1/20 0.44
RPS6KA5 O75582 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44

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
SCHEMBL27783713 1.00 MAPKAPK2 (0.54) MAPKAPK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20095129 1.00 MAPKAPK2 (0.54) MAPKAPK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29741303 0.87 TEAD4 (0.47) MAPKAPK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29741345 0.87 MAPT (0.52) MAPKAPK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27805310 0.87 KMT2A (0.49) MAPKAPK2JAK3IRAK4MAPTEGFR
SCHEMBL29741354 0.87 TEAD4 (0.47) MAPKAPK2JAK3IRAK4LMNAKDM4E
SCHEMBL431571 0.87 NPBWR1 (0.54) MAPKAPK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28786965 0.87 KMT2A (0.49) MAPKAPK2JAK3IRAK4MAPTEGFR
SCHEMBL27805313 0.87 KMT2A (0.49) MAPKAPK2JAK3IRAK4MAPTEGFR
SCHEMBL5501697 0.83 PRKACA (0.47) MAPKAPK2CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114836486-B Method for synthesizing chiral beta-amino alcohol by enzyme catalysis 湖北大学 2023-05-12 CN claimed
CN-114836486-A Method for synthesizing chiral beta-amino alcohol by enzyme catalysis 湖北大学 2022-08-02 CN claimed
CN-114836486-B Method for synthesizing chiral beta-amino alcohol by enzyme catalysis 湖北大学 2023-05-12 CN disclosed
CN-114836486-A Method for synthesizing chiral beta-amino alcohol by enzyme catalysis 湖北大学 2022-08-02 CN disclosed
CN-110167948-B Crystalline metal organic framework 卡塔拉基础学院化学研究所 2022-01-11 CN disclosed
CN-104529796-A Catalytic synthesis application based on frustrated Lewis acid-base pair UNIV HUNAN 2015-04-22 CN disclosed
US-8932980-B2 Ordered mesoporous titanosilicate and the process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-01-13 US disclosed
EP-2595921-A1 ORDERED MESOPOROUS TITANOSILICATE AND THE PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2013-05-29 EP disclosed
US-20130116453-A1 ORDERED MESOPOROUS TITANOSILICATE AND THE PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-05-09 US disclosed
WO-2012011124-A1 ORDERED MESOPOROUS TITANOSILICATE AND THE PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-01-26 WO disclosed
CN-101747211-A Synthesis method of derivative of chiral Beta-amino-alcohol and part of final products thereof ASYMCHEM LIFE SCIENCE TIANJIN 2010-06-23 CN disclosed
EP-0137251-B1 BISMORPHOLINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-HYDROLYSIS AGENTS BAYER AG (DE) 1988-09-28 EP disclosed
US-4639478-A Bismorpholines, a process for their preparation and their use for protection against hydrolysis BAYER AKTIENGESELLSCHAFT (DE) 1987-01-27 US disclosed
US-4617387-A REACTING GLYOXAL WITH AN N-SUBSTITUTED AMINO ALCOHOL BAYER AKTIENGESELLSCHAFT (DE) 1986-10-14 US disclosed
EP-0137251-A2 Bismorpholines, process for their preparation and their use as anti-hydrolysis agents BAYER AG (DE) 1985-04-17 EP disclosed