SCHEMBL8449489

SCHEMBL8449489

CC(O)(CCO)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
BCL2 P10415 2/20 0.44
TNKS O95271 2/20 0.40
PARP1 P09874 2/20 0.40
TNKS2 Q9H2K2 2/20 0.40
CYP19A1 P11511 1/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MIF P14174 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
SCHEMBL11507654 0.89 KMT2A (0.46) KMT2AMEN1NPSR1TSHRMAPK1
SCHEMBL10253668 0.85 KMT2A (0.58) KMT2AMEN1NPSR1TSHRMAPK1
SCHEMBL656347 0.83 KMT2A (0.56) KMT2AMEN1NPSR1TSHRMAPK1
SCHEMBL22623891 0.83 KMT2A (0.56) KMT2AMEN1NPSR1TSHRMAPK1
SCHEMBL6480252 0.83 KMT2A (0.60) KMT2AMEN1NPSR1TSHRMAPK1
SCHEMBL11546442 0.82 SRD5A2 (0.43) KMT2AMEN1TNKSPARP1TNKS2
SCHEMBL29571023 0.82 KMT2A (0.54) KMT2AMEN1NPSR1TSHRMAPK1
SCHEMBL658690 0.82 KMT2A (0.54) KMT2AMEN1NPSR1TSHRMAPK1
SCHEMBL31305572 0.81 TSHR (0.46) KMT2AMEN1TSHRTNKSPARP1
SCHEMBL11493860 0.81 ESR1 (0.50) KMT2AMEN1TSHRTNKSPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113891882-B Process for producing dihydroisoxazole 组合化学工业株式会社 2024-11-26 CN disclosed
CN-113891882-A Method for producing dihydroisoxazole 组合化学工业株式会社 2022-01-04 CN disclosed
EP-0916654-A1 SULFONIC ESTER DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND USE THEREOF KANEKA CORPORATION (JP) 1999-05-19 EP disclosed
US-4136200-A PHENYLBUTANOL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-01-23 US disclosed
US-4049823-A Phenylbutanol derivatives and compositions containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-20 US disclosed