SCHEMBL29996541

SCHEMBL29996541

O=C(OCC1c2ccccc2-c2ccccc21)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ FABP5 Q01469 3/20 0.46
▸ FABP7 O15540 2/20 0.46
▸ EPHX2 P34913 1/20 0.44
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CASP3 P42574 1/20 0.40
▸ POLB P06746 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37

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
SCHEMBL1401611 1.00 KMT2A (0.47) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL44676 0.82 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL31072600 0.82 KMT2A (0.40) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL31733654 0.80 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL29400520 0.80 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL3060297 0.80 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL27143076 0.80 FABP5 (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL15119354 0.80 KMT2A (0.60) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29401144 0.79 CASP3 (0.48) KMT2AEPHX2CASP3
SCHEMBL7650015 0.79 CASP3 (0.48) KMT2AEPHX2CASP3

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
US-20220307063-A1 METHOD FOR ANALYZING MICROBIAL FLORA NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2022-09-29 — — US disclosed
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