SCHEMBL7124561

SCHEMBL7124561

CC(C)(C)Oc1ccc(CC(N)(CO)C(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ FABP5 Q01469 3/20 0.36
▸ FABP7 O15540 2/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ PPARG P37231 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ PTPN1 P18031 1/20 0.33

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
SCHEMBL28356620 0.86 SMN1; SMN2 (0.42) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29019459 0.86 SMN1; SMN2 (0.42) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29019435 0.86 SMN1; SMN2 (0.42) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL7127095 0.80 KMT2A (0.43) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL16310478 0.78 KMT2A (0.44) KMT2AEPHX2PTPN1
SCHEMBL25362440 0.76 ITGB3 (0.45) KMT2AEPHX2PTPN1
SCHEMBL25362437 0.76 ITGB3 (0.45) KMT2AEPHX2PTPN1
SCHEMBL7809928 0.75 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL1311053 0.75 FABP5 (0.44) KMT2AFABP5FABP7
SCHEMBL29823700 0.74 PPARG (0.39) KMT2AFABP5FABP7EPHX2PPARG

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-6660832-B1 Cyclic peptide compounds with fused benzene rings; solid phase synthesis thereof; use as antibiotic to treat bacterial infection in mammals; may work by binding to RNA targets ISIS PHARMACEUTICALS, INC. 2003-12-09 — — US disclosed
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