SCHEMBL4386782

SCHEMBL4386782

CCOC(=O)C1C(=O)c2cc(I)ccc2N(CC)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TDP2 O95551 1/20 0.38
CASP3 P42574 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
UCHL1 P09936 1/20 0.36
UCHL3 P15374 1/20 0.36
ATM Q13315 1/20 0.36
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
MDM2 Q00987 2/20 0.35
USP2 O75604 1/20 0.35
PABPC1 P11940 1/20 0.35
APOBEC3A P31941 1/20 0.35
EIF4H Q15056 1/20 0.35

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
SCHEMBL4399700 0.79 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL4399697 0.79 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL4385104 0.73 BRD4 (0.38) ALDH1A1MEN1KMT2AGAAATM
SCHEMBL18955128 0.72 ALDH1A1 (0.58) ALDH1A1CASP3MEN1KMT2AMAPT
SCHEMBL30099632 0.72 GABRG2 (0.41) ALDH1A1TDP2MEN1KMT2AKDM4E
SCHEMBL23609872 0.72 GABRG2 (0.41) ALDH1A1TDP2MEN1KMT2AKDM4E
SCHEMBL2743830 0.71 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL18955409 0.71 ALDH1A1 (0.76) ALDH1A1CASP3KMT2AMAPTHSD17B10
SCHEMBL5059322 0.71 TDP2 (0.40) ALDH1A1TDP2MEN1KMT2AKDM4E
SCHEMBL10746773 0.70 ALDH1A1 (0.40) ALDH1A1TDP2MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628990-B1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LTD (GB) 2009-12-02 EP disclosed
US-20070141276-A1 Novel 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
EP-1628990-A1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
WO-2004101588-A1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed