SCHEMBL2417832

SCHEMBL2417832

CCCCOc1c(OC)ccc(C=O)c1-c1nccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CNR2 P34972 3/20 0.38
CNR1 P21554 2/20 0.38
SLC2A1 P11166 1/20 0.37
EGFR P00533 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
S1PR1 P21453 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSD P07339 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP2C9 P11712 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
SCHEMBL2421361 0.90 MEN1 (0.42) GAATDP1L3MBTL1NPC1RAB9A
SCHEMBL2418389 0.85 HPGD (0.39) GAANPC1RAB9AEGFRMAPT
SCHEMBL2949995 0.77 MAPT (0.38) GAANPC1RAB9AEGFRMAPT
SCHEMBL2417802 0.77 GAA (0.42) GAATDP1L3MBTL1NPC1RAB9A
SCHEMBL2414362 0.76 GAA (0.41) GAATDP1L3MBTL1NPC1RAB9A
SCHEMBL2421608 0.71 S1PR1 (0.45) GAATDP1L3MBTL1SLC2A1ALDH1A1
SCHEMBL2417097 0.71 S1PR1 (0.43) GAATDP1L3MBTL1NPC1RAB9A
SCHEMBL7642915 0.71 MAPT (0.66) L3MBTL1NPC1RAB9AEGFRMAPT
SCHEMBL636533 0.70 NPC1 (0.62) L3MBTL1NPC1RAB9AMAPTALDH1A1
SCHEMBL8749413 0.69 GAA (0.55) GAATDP1L3MBTL1CNR2CNR1

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-8026255-B2 Substituted piperidines as somatostatin receptor subtype 5 (SSTR5) antagonists HOFFMAN-LA ROCHE INC. (US) 2011-09-27 US disclosed