SCHEMBL28035104

SCHEMBL28035104

CC(C)(C)OC(=O)CCCSCC(N)(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MDM2 Q00987 1/20 0.37
FABP5 Q01469 3/20 0.36
FABP7 O15540 2/20 0.36
EPHX2 P34913 1/20 0.35
MDM4 O15151 1/20 0.33
TP53 P04637 1/20 0.33
CASP3 P42574 1/20 0.32
BACE1 P56817 1/20 0.32
TNF P01375 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL16061070 1.00 KMT2A (0.39) KMT2AMDM2FABP5FABP7EPHX2
SCHEMBL17079667 0.95 KMT2A (0.38) KMT2AMDM2FABP5FABP7EPHX2
SCHEMBL16060617 0.89 KMT2A (0.42) KMT2AMDM2FABP5FABP7EPHX2
SCHEMBL28124455 0.89 KMT2A (0.42) KMT2AMDM2FABP5FABP7EPHX2
SCHEMBL17079651 0.88 KMT2A (0.39) KMT2AMDM2FABP5FABP7EPHX2
SCHEMBL17079656 0.86 KMT2A (0.43) KMT2AMDM2FABP5FABP7EPHX2
SCHEMBL28124396 0.86 KMT2A (0.43) KMT2AMDM2FABP5FABP7EPHX2
SCHEMBL28124397 0.85 KMT2A (0.45) KMT2AMDM2FABP5FABP7EPHX2
SCHEMBL16061106 0.85 KMT2A (0.45) KMT2AMDM2FABP5FABP7EPHX2
SCHEMBL5973232 0.84 KMT2A (0.41) KMT2AMDM2FABP5FABP7EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103833831-B A kind of preparation method of carbetocin HAINAN SHUANGCHENG PHARMACEUTICALS CO., LTD. (CN) 2015-11-25 CN disclosed