SCHEMBL8908678

SCHEMBL8908678

CC(C)(CCBr)OC(=O)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
USP2 O75604 1/20 0.39
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 4/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HSD11B1 P28845 1/20 0.37
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 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
SCHEMBL8041932 0.86 HPGD (0.49) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL6461610 0.84 HPGD (0.47) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL4714585 0.83 HPGD (0.46) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL7500112 0.81 HPGD (0.45) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL4716609 0.81 HPGD (0.44) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL879545 0.80 HPGD (0.50) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL5199652 0.80 HPGD (0.50) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL7497409 0.80 HPGD (0.44) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL8033100 0.79 HPGD (0.43) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL7496343 0.79 HPGD (0.43) HPGDSMN1; SMN2MAPTNPC1HTT

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-0771319-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-05-07 EP disclosed
WO-1996002542-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-01 WO disclosed