SCHEMBL6858012

SCHEMBL6858012

Cc1ccc(SOC(=O)C2CCCN2CC(C(=O)O)C(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.36
MDM2 Q00987 1/20 0.36
CHRM3 P20309 1/20 0.35
FABP5 Q01469 3/20 0.34
FABP7 O15540 2/20 0.34
FKBP1A P62942 2/20 0.33
MDM4 O15151 2/20 0.33
TP53 P04637 2/20 0.33
FDFT1 P37268 1/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 1/20 0.33
LTA4H P09960 2/20 0.32

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
SCHEMBL6849920 0.76 CHRM3 (0.46) CHRM3FABP5FABP7MDM4TP53
SCHEMBL6858016 0.73 KMT2A (0.37) MDM2FABP5FABP7FKBP1AMDM4
SCHEMBL6853728 0.72 LTA4H (0.40) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL8609022 0.71 FABP5 (0.43) FABP5FABP7MDM4TP53POLB
SCHEMBL26195395 0.70 MDM4 (0.52) PIN1MDM2MDM4TP53FDFT1
SCHEMBL6854308 0.70 MDM4 (0.37) PIN1CHRM3FABP5FABP7MDM4
SCHEMBL8734295 0.69 CHRM3 (0.39) PIN1CHRM3FABP5FABP7MDM4
SCHEMBL26195412 0.67 MDM4 (0.51) PIN1MDM2MDM4TP53FDFT1
SCHEMBL31683979 0.66 RAB9A (0.43) FABP5FABP7KDM4EALDH1A1
SCHEMBL15083513 0.66 RAB9A (0.43) FABP5FABP7KDM4EALDH1A1

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