SCHEMBL10158281

SCHEMBL10158281

CCCOc1ccc(CC)c(Cl)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
CSNK2A1 P68400 2/20 0.42
POLB P06746 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 1/20 0.37

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
SCHEMBL13868786 0.85 MAPT (0.42) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL10158064 0.81 CSNK2A1 (0.45) MAPTKDM4EALDH1A1HPGDCSNK2A1
SCHEMBL12551855 0.79 ALDH1A1 (0.41) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL17637321 0.73 KDM4E (0.68) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL17192245 0.72 ALDH1A1 (0.51) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL10158646 0.72 CTRC (0.40) MAPTALDH1A1POLBL3MBTL1HTT
SCHEMBL13862857 0.71 ALDH1A1 (0.45) MAPTKDM4EALDH1A1HPGDCSNK2A1
SCHEMBL27426795 0.70 MAPT (0.45) MAPTKDM4EALDH1A1HPGDCSNK2A1
SCHEMBL8083661 0.70 RAB9A (0.49) MAPTALDH1A1HPGDCSNK2A1L3MBTL1
SCHEMBL15801288 0.70 MAPT (0.62) MAPTKDM4EALDH1A1HPGDCSNK2A1

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-2220076-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2012-01-18 EP disclosed
WO-2009062288-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed