SCHEMBL28237354

SCHEMBL28237354

O=COCC1c2ccccc2-c2ccccc21.OC(C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KMT2A Q03164 2/20 0.37
FABP7 O15540 2/20 0.36
FABP5 Q01469 2/20 0.36
EPHX2 P34913 1/20 0.35
HTR2A P28223 1/20 0.35
CASP3 P42574 2/20 0.34

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
SCHEMBL12719 0.84 CA1 (0.53) CA1CA2KMT2AFABP7FABP5
SCHEMBL29393453 0.84 CA1 (0.53) CA1CA2KMT2AFABP7FABP5
Methylene Chloride SCHEMBL28181606 0.80 CA1 (0.49) CA1CA2KMT2AFABP7FABP5
SCHEMBL28202099 0.78 CA1 (0.44) CA1CA2KMT2AFABP7FABP5
Diethylamine SCHEMBL28081949 0.76 CA1 (0.45) CA1CA2KMT2AFABP7FABP5
Dimethylformamide SCHEMBL28264885 0.76 CA1 (0.45) CA1CA2KMT2AFABP7FABP5
SCHEMBL28101345 0.75 CA1 (0.44) CA1CA2KMT2AFABP7FABP5
SCHEMBL28260915 0.74 CA1 (0.42) CA1CA2KMT2AFABP7FABP5
SCHEMBL28246095 0.73 KMT2A (0.44) CA1CA2KMT2AFABP7FABP5
SCHEMBL28126451 0.73 CA1 (0.40) CA1CA2KMT2AFABP7FABP5

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-108347916-A Composition and method for reducing ice crystal formation 先时迈纳米生物科技股份有限公司 2018-07-31 CN disclosed