SCHEMBL9978245

SCHEMBL9978245

CC(C)COC(=O)N1CCCCC1CO

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.58
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
NR1H4 Q96RI1 1/20 0.40
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 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
SCHEMBL3360692 0.95 RAB9A (0.64) RAB9APOLBL3MBTL1HTTTSHR
SCHEMBL1146693 0.88 RAB9A (0.56) RAB9APOLBL3MBTL1HTTTSHR
SCHEMBL28064109 0.88 RAB9A (0.58) RAB9APOLBL3MBTL1HTTTSHR
SCHEMBL4541731 0.88 RAB9A (0.58) RAB9APOLBHTTTSHRALDH1A1
SCHEMBL8800154 0.86 RAB9A (0.53) RAB9APOLBL3MBTL1HTTTSHR
SCHEMBL9978311 0.85 RAB9A (0.56) RAB9APOLBL3MBTL1HTTTSHR
SCHEMBL4576862 0.83 RAB9A (0.64) RAB9APOLBL3MBTL1HTTTSHR
SCHEMBL11993036 0.81 RAB9A (0.61) RAB9APOLBHTTTSHRALDH1A1
SCHEMBL10120835 0.81 RAB9A (0.61) RAB9APOLBL3MBTL1HTTTSHR
SCHEMBL80443 0.81 RAB9A (0.51) RAB9APOLBHTTTSHRALDH1A1

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-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed