SCHEMBL30825151

SCHEMBL30825151

CC(C)(C)OC(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](O)[C@H](O)CO

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
FABP5 Q01469 3/20 0.39
FABP7 O15540 2/20 0.39
EPHX2 P34913 1/20 0.38
CASP3 P42574 1/20 0.37
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL30600447 0.81 KMT2A (0.46) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL31185984 0.81 KMT2A (0.46) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL25660797 0.78 KMT2A (0.46) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL6239792 0.76 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL30635332 0.75 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL31440534 0.74 KMT2A (0.42) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL28781873 0.74 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL1595033 0.73 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL13494503 0.72 KMT2A (0.51) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL26845777 0.72 CASP3 (0.47) KMT2AEPHX2CASP3MDM4TP53

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-117534728-A Preparation method of octreotide trisulfide bond impurity E 哈尔滨吉象隆生物技术有限公司 2024-02-09 CN disclosed