SCHEMBL26313200

SCHEMBL26313200

CCCC1CCCN1CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
S1PR1 P21453 3/20 0.39
S1PR3 Q99500 3/20 0.39
S1PR5 Q9H228 3/20 0.39
S1PR4 O95977 1/20 0.39
HTT P42858 1/20 0.37
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
SPHK2 Q9NRA0 2/20 0.31
SPHK1 Q9NYA1 2/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL12718165 1.00 L3MBTL1 (0.40) L3MBTL1S1PR1S1PR3S1PR5S1PR4
SCHEMBL12718168 1.00 L3MBTL1 (0.40) L3MBTL1S1PR1S1PR3S1PR5S1PR4
SCHEMBL12717772 0.94 S1PR1 (0.39) L3MBTL1S1PR1S1PR3S1PR5S1PR4
SCHEMBL13839006 0.84 TSHR (0.40) L3MBTL1HTTCHRM3ALDH1A1KMT2A
SCHEMBL25663994 0.84 TSHR (0.40) L3MBTL1HTTCHRM3ALDH1A1KMT2A
SCHEMBL25769664 0.84 TSHR (0.40) L3MBTL1HTTCHRM3ALDH1A1KMT2A
SCHEMBL12064296 0.81 ALDH1A1 (0.47) L3MBTL1S1PR1S1PR3S1PR5S1PR4
SCHEMBL10181568 0.81 ALDH1A1 (0.47) L3MBTL1S1PR1S1PR3S1PR5S1PR4
SCHEMBL12064295 0.81 ALDH1A1 (0.47) L3MBTL1S1PR1S1PR3S1PR5S1PR4
SCHEMBL10808055 0.80 CHRM3 (0.38) L3MBTL1HTTCHRM3PIK3CD

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
EP-4227302-A1 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2023-08-16 EP disclosed