SCHEMBL28246095

SCHEMBL28246095

O=C(O)NCC1c2ccccc2-c2ccccc21.O=COCC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX2 P34913 1/20 0.40
CASP3 P42574 2/20 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
SCHEMBL88302 0.85 HTR2A (0.45) KMT2AFABP5FABP7
SCHEMBL29579635 0.85 HTR2A (0.45) KMT2AFABP5FABP7
Ammonia Solution, Strong SCHEMBL28099493 0.83 HTR2A (0.44) KMT2AFABP5FABP7
SCHEMBL29393453 0.83 CA1 (0.53) KMT2AFABP5FABP7CA1CA2
SCHEMBL12719 0.83 CA1 (0.53) KMT2AFABP5FABP7CA1CA2
Methylene Chloride SCHEMBL28181606 0.79 CA1 (0.49) KMT2AFABP5FABP7CA1CA2
Diethylamine SCHEMBL28081949 0.78 CA1 (0.45) KMT2AFABP5FABP7CA1CA2
SCHEMBL28081975 0.77 CYP1A2 (0.44) KMT2AFABP5FABP7CA1CA2
Hexane SCHEMBL28816063 0.77 BCHE (0.45) KMT2AEPHX2
SCHEMBL16866493 0.75 KMT2A (0.56) KMT2AFABP5FABP7EPHX2CASP3

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-108504702-A Process for large scale enzymatic synthesis of oligosaccharides 中央研究院 2018-09-07 CN disclosed