SCHEMBL4970012

SCHEMBL4970012

CS(=O)(=O)OCCCc1ccc(I)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MMP9 P14780 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
CA2 P00918 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
MITF O75030 1/20 0.36
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL4969784 0.95 KDM4E (0.52) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7597791 0.93 KDM4E (0.50) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3863603 0.89 CA1 (0.43) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3540841 0.85 ALDH1A1 (0.52) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2453322 0.84 ALDH1A1 (0.50) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6283344 0.84 CA2 (0.53) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6284410 0.84 ALDH1A1 (0.50) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6279711 0.82 CA2 (0.54) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL1334286 0.82 ALDH1A1 (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL408714 0.82 TSHR (0.48) KDM4EUSP2ALDH1A1LMNAMMP9

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
WO-2008106204-A1 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X-PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed