SCHEMBL13868786

SCHEMBL13868786

CCOc1ccc(CC)c(Cl)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 10/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
KDM4E B2RXH2 6/20 0.38
RAB9A P51151 2/20 0.38
RORC P51449 1/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 2/20 0.37
HPGD P15428 4/20 0.37
GAA P10253 2/20 0.36
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 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
SCHEMBL10158281 0.85 MAPT (0.50) MAPTL3MBTL1NPSR1ALDH1A1HTT
SCHEMBL22787328 0.84 MAPT (0.44) MAPTL3MBTL1NPSR1ALDH1A1HTT
SCHEMBL12551855 0.82 ALDH1A1 (0.41) MAPTL3MBTL1NPSR1ALDH1A1HTT
SCHEMBL13862935 0.81 ALDH1A1 (0.42) MAPTL3MBTL1NPSR1ALDH1A1HTT
SCHEMBL9712162 0.80 MAPT (0.40) MAPTL3MBTL1NPSR1ALDH1A1HTT
SCHEMBL13888142 0.78 ALDH1A1 (0.46) MAPTL3MBTL1NPSR1ALDH1A1HTT
SCHEMBL13895401 0.77 GABRA1 (0.43) MAPTL3MBTL1NPSR1ALDH1A1HTT
SCHEMBL15134175 0.76 MAPT (0.37) MAPTL3MBTL1NPSR1ALDH1A1HTT
SCHEMBL13029008 0.76 ALDH1A1 (0.41) MAPTL3MBTL1NPSR1ALDH1A1HTT
SCHEMBL23061057 0.75 CYP3A4 (0.50) MAPTL3MBTL1LMNAKDM4ERAB9A

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-2009062289-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed