SCHEMBL6858016

SCHEMBL6858016

Cc1ccc(SOC(=O)C2CC[C@@H](CCC(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
FABP5 Q01469 3/20 0.35
FABP7 O15540 2/20 0.35
MDM2 Q00987 1/20 0.33
CASP3 P42574 1/20 0.32
MDM4 O15151 1/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
FFAR2 O15552 1/20 0.30
FKBP1A P62942 1/20 0.30
HPGD P15428 1/20 0.30
EPHX2 P34913 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL6858012 0.73 PIN1 (0.36) KMT2AFABP5FABP7MDM2MDM4
SCHEMBL119407 0.72 KMT2A (0.46) KMT2AFABP5FABP7CASP3MDM4
SCHEMBL31369486 0.70 ACE (0.47) FABP5FABP7FFAR2
SCHEMBL30422869 0.69 KMT2A (0.46) KMT2AFABP5FABP7
SCHEMBL8606944 0.66 KMT2A (0.48) KMT2AFABP5FABP7ALDH1A1
SCHEMBL31369524 0.66 FFAR2 (0.56) FABP5FABP7FFAR2
SCHEMBL8124433 0.65 FABP5 (0.49) KMT2AFABP5FABP7CASP3MDM4
SCHEMBL31369726 0.65 KMT2A (0.46) KMT2AFABP5FABP7ALDH1A1EPHX2
SCHEMBL31370165 0.65 KMT2A (0.46) KMT2AFABP5FABP7ALDH1A1EPHX2
SCHEMBL13259973 0.65 FABP5 (0.46) KMT2AFABP5FABP7CASP3FFAR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-6184389-B1 FEATURE A PLURALITY OF FUNCTIONAL GROUPS ATTACHED TO BACKBONE AND PHOSPHORAMIDATE SITES ISIS PHARMACEUTICALS, INC. 2001-02-06 US disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed