SCHEMBL29697690

SCHEMBL29697690

O=COC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.50
▸ FABP5 Q01469 3/20 0.49
▸ FABP7 O15540 2/20 0.49
▸ EPHX2 P34913 1/20 0.47
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CASP3 P42574 2/20 0.42
▸ HTR2A P28223 1/20 0.39
▸ TSHR P16473 1/20 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
SCHEMBL5796019 1.00 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL44676 0.86 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL6444587 0.86 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL15058849 0.83 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL17167370 0.80 KMT2A (0.56) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL15119354 0.80 KMT2A (0.60) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL13044481 0.80 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL425741 0.80 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL15981181 0.79 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL20903881 0.79 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CA1

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
WO-2022138891-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE 中外製薬株式会社 2022-06-30 — — WO disclosed
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