SCHEMBL31360781

SCHEMBL31360781

O=C(Cl)C(C(=O)OCC1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
KMT2A Q03164 2/20 0.47
FABP5 Q01469 3/20 0.46
FABP7 O15540 2/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
CASP3 P42574 2/20 0.40
MDM4 O15151 1/20 0.38
TP53 P04637 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
SCHEMBL4094095 0.81 KMT2A (0.51) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL27942257 0.80 KMT2A (0.50) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL30272536 0.80 KMT2A (0.45) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL30889906 0.80 KMT2A (0.45) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL15939517 0.80 KMT2A (0.45) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL27861227 0.80 KMT2A (0.52) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL27547 0.79 KMT2A (0.55) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL29349891 0.79 KMT2A (0.55) EPHX2KMT2AFABP5FABP7CA1
Hydrochloric Acid SCHEMBL810434 0.78 KMT2A (0.54) EPHX2KMT2AFABP5FABP7CA1
Ammonia Solution, Strong SCHEMBL27794450 0.78 KMT2A (0.54) EPHX2KMT2AFABP5FABP7CA1

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-114630835-B Process for the preparation of peptide compounds comprising sterically bulky amino acids 中外制药株式会社 2025-02-11 CN disclosed