SCHEMBL91291

SCHEMBL91291

CCc1ccc(OCCOc2c(Cl)ccc(F)c2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD3 P35462 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
CHKA P35790 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTT P42858 2/20 0.35
GPR84 Q9NQS5 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
SCHEMBL91267 0.91 LMNA (0.43) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL78505 0.81 KDM4E (0.41) LMNAMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL91273 0.80 L3MBTL1 (0.50) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL28222875 0.76 HTT (0.40) LMNAALDH1A1L3MBTL1MAPK1HTT
SCHEMBL5929490 0.75 MAPT (0.62) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL10289213 0.74 REN (0.50) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL78179 0.72 KDM4E (0.43) LMNAMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL10289207 0.71 OXTR (0.35) L3MBTL1TDP1MEN1KMT2AHRH3
SCHEMBL14579984 0.69 ALDH1A1 (0.56) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL17445912 0.69 ALDH1A1 (0.66) LMNAMAPTSMN1; SMN2ALDH1A1HPGD

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
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed