SCHEMBL6769650

SCHEMBL6769650

Cc1cc(C(=O)CCCOc2ccccc2)sc1CCC(C)(N)CO

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
PPARA Q07869 4/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
S1PR5 Q9H228 1/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6767731 0.89 FFAR4 (0.39) S1PR4S1PR1S1PR3PPARAALDH1A1
SCHEMBL6769593 0.87 L3MBTL1 (0.35) S1PR1S1PR3TDP1
SCHEMBL13165876 0.85 LTB4R (0.42) TDP1NPC1RAB9AMAPT
SCHEMBL5165561 0.82 S1PR4 (0.41) S1PR4S1PR1S1PR3PPARAALDH1A1
SCHEMBL6775391 0.81 S1PR1 (0.38) S1PR4S1PR1S1PR3PPARAALDH1A1
SCHEMBL3511485 0.79 S1PR1 (0.36) S1PR1S1PR3S1PR5NPC1
SCHEMBL3512684 0.79 S1PR1 (0.36) S1PR1S1PR3S1PR5NPC1
SCHEMBL5167524 0.79 S1PR4 (0.43) S1PR4S1PR1S1PR3PPARAALDH1A1
SCHEMBL13165878 0.78 S1PR1 (0.34) S1PR4S1PR1S1PR3S1PR5NPC1
SCHEMBL3511760 0.77 NAMPT (0.40) ALDH1A1MAPT

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-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US claimed