SCHEMBL8080432

SCHEMBL8080432

Cc1cc(Cl)c(CCCOc2ccc(CI)cc2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
KCNH2 Q12809 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 4/20 0.38
DRD4 P21917 4/20 0.38
DRD3 P35462 4/20 0.38
HRH3 Q9Y5N1 1/20 0.37
REN P00797 2/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 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
SCHEMBL663105 0.83 REN (0.49) PPARGRENMAPTHPGDMAPK1
SCHEMBL9705878 0.74 KCNA3 (0.50) HRH3L3MBTL1
SCHEMBL14168915 0.72 APP (0.44) HRH3
SCHEMBL5169443 0.70 NR5A1 (0.58) HPGD
SCHEMBL22894182 0.69 DRD2 (0.63) PPARGKCNH2SMN1; SMN2MEN1ALDH1A1
SCHEMBL15086546 0.69 LMNA (0.53) SMN1; SMN2MEN1ALDH1A1KMT2AMAPT
SCHEMBL21185863 0.69 KCNH2 (0.62) KCNH2SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL10289213 0.69 REN (0.50) PPARGSMN1; SMN2ALDH1A1RENMAPT
SCHEMBL15086522 0.68 APP (0.41) HRH3
SCHEMBL21379240 0.68 NR5A1 (0.61) SMN1; SMN2MEN1ALDH1A1KMT2AHPGD

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-2009023964-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-02-26 WO disclosed