SCHEMBL27639895

SCHEMBL27639895

CCCCCCCCOc1ccc2cc(C3CCCS3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.47
MAOB P27338 4/20 0.47
THRA P10827 1/20 0.40
LTA4H P09960 1/20 0.40
LMNA P02545 1/20 0.40
HRH3 Q9Y5N1 4/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
NR5A1 Q13285 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL27639881 0.99 MAOA (0.48) MAOAMAOBTHRALTA4HLMNA
SCHEMBL27639854 0.96 MAOA (0.50) MAOAMAOBLMNAHRH3CA12
Methane SCHEMBL28755004 0.95 MAOA (0.49) MAOAMAOBLMNAHRH3CA12
SCHEMBL701986 0.94 MAOA (0.48) MAOAMAOBHRH3CA12CA1
SCHEMBL700280 0.89 MAOA (0.48) MAOAMAOBHRH3CA12CA1
SCHEMBL703410 0.83 MAOA (0.46) MAOAMAOBCA12CA1CA4
Fluoride SCHEMBL27659999 0.83 MAOA (0.62) MAOAMAOBLTA4HLMNA
SCHEMBL27639857 0.81 SPHK1 (0.43)
SCHEMBL27639877 0.81 SPHK1 (0.43)
SCHEMBL27639891 0.81 SPHK1 (0.43)

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
CN-100457749-C Sulfonium salt compound, radiation-sensitive acid generator, and positive-type radiation-sensitive resin composition JSR CORP (JP) 2009-02-04 CN disclosed
CN-1738813-A Sulfonium salt compound, radiation-sensitive acid generator, and positive-type radiation-sensitive resin composition JSR CORP (JP) 2006-02-22 CN disclosed