SCHEMBL4026091

SCHEMBL4026091

Cc1ccc2c(c1)CCCN2C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.71
ALDH1A1 P00352 8/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
NOTUM Q6P988 1/20 0.62
TSHR P16473 3/20 0.61
HTT P42858 1/20 0.61
PDK1 Q15118 1/20 0.61
PDK2 Q15119 1/20 0.61
PDK3 Q15120 1/20 0.61
PDK4 Q16654 1/20 0.61
POLB P06746 1/20 0.60
GAA P10253 1/20 0.59
MAPT P10636 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53

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
SCHEMBL156256 0.87 NOTUM (0.82) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL23752365 0.86 KDM4E (0.69) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL9392589 0.86 KDM4E (0.69) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL5360223 0.84 KDM4E (0.62) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL26763833 0.83 KDM4E (0.66) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL13525164 0.83 KDM4E (0.66) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL11710635 0.83 KDM4E (0.66) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL6127792 0.83 KDM4E (0.66) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL13524325 0.83 KDM4E (0.66) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL3656037 0.82 PDK1 (0.59) KDM4EPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP disclosed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO disclosed