SCHEMBL91273

SCHEMBL91273

CCc1ccc(OCCOc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.50
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.43
PPARG P37231 1/20 0.43
REN P00797 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL10289213 0.83 REN (0.50) L3MBTL1MAPTLMNAHPGDALDH1A1
SCHEMBL91268 0.81 L3MBTL1 (0.69) L3MBTL1MAPTLMNAHPGDALDH1A1
SCHEMBL5929490 0.81 MAPT (0.62) L3MBTL1MAPTLMNAHPGDALDH1A1
SCHEMBL91269 0.81 SCN8A (0.50) MAPTLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL91291 0.80 LMNA (0.41) L3MBTL1MAPTLMNAHPGDALDH1A1
SCHEMBL78180 0.78 KDM4E (0.46) L3MBTL1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL91185 0.78 L3MBTL1 (0.49) L3MBTL1MAPTHPGDSMN1; SMN2TDP1
SCHEMBL8408824 0.78 MAPT (0.49) L3MBTL1MAPTLMNAHPGDALDH1A1
SCHEMBL1373729 0.77 KDM4E (0.59) L3MBTL1MAPTLMNAHPGDALDH1A1
SCHEMBL11233036 0.77 L3MBTL1 (0.54) L3MBTL1MAPTHPGDSMN1; SMN2TDP1

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