SCHEMBL6557882

SCHEMBL6557882

CCOC(=O)C(Cc1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)cc1)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
BLM P54132 1/20 0.42
PPARA Q07869 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
CXCR3 P49682 3/20 0.41
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL6555791 0.94 PPARA (0.49) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL6555868 0.91 SMN1; SMN2 (0.47) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL6556142 0.88 MEN1 (0.49) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL6555882 0.87 MEN1 (0.52) MEN1KMT2ASMN1; SMN2BLMPPARA
SCHEMBL6555917 0.86 ALDH1A1 (0.55) MEN1KMT2ASMN1; SMN2BLMPPARA
SCHEMBL6555796 0.84 PPARA (0.53) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL6555785 0.81 PPARA (0.55) MEN1KMT2ASMN1; SMN2BLMPPARA
SCHEMBL6555798 0.81 KDM4E (0.59) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL6556021 0.81 PPARA (0.59) MEN1KMT2APPARAPPARGPPARD
SCHEMBL6556037 0.81 PPARA (0.51) KDM4EALOX15TSHRTDP1L3MBTL1

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
EP-1073643-B1 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2004-12-29 EP claimed