SCHEMBL30453

SCHEMBL30453

CCOc1ccc(C=O)c(-c2cc(Br)ccc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
SLC2A1 P11166 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ERN1 O75460 2/20 0.38
DHFR P00374 1/20 0.38
PDGFRB P09619 1/20 0.37
TSHR P16473 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
ADAM17 P78536 1/20 0.36

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
SCHEMBL30640 0.85 FFAR1 (0.45) LMNASLC2A1ALDH1A1HPGDKDM4E
SCHEMBL3721962 0.76 ALDH1A1 (0.47) LMNAALDH1A1HPGDKDM4EERN1
SCHEMBL13265071 0.76 ALDH1A1 (0.47) LMNAALDH1A1HPGDKDM4EERN1
SCHEMBL15145284 0.75 LMNA (0.59) LMNAALDH1A1HPGDKDM4EERN1
SCHEMBL2505577 0.73 HDAC8 (0.50) LMNAALDH1A1HPGDKDM4EERN1
SCHEMBL20505239 0.71 LMNA (0.59) LMNAALDH1A1HPGDKDM4EERN1
SCHEMBL289027 0.71 LMNA (0.59) LMNAALDH1A1HPGDKDM4EERN1
SCHEMBL18811323 0.71 NQO1 (0.48) LMNAALDH1A1HPGDKDM4EDHFR
SCHEMBL1125718 0.70 ALDH1A1 (0.55) LMNAALDH1A1KDM4EERN1HSD17B10
SCHEMBL9498221 0.70 NQO1 (0.46) LMNAALDH1A1HPGDKDM4EERN1

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-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed