SCHEMBL17149192

SCHEMBL17149192

Cc1cc(CCC(C)C)cc(C)c1SC(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DAO P14920 1/20 0.30

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
SCHEMBL17149151 0.83 AAK1 (0.33)
SCHEMBL17149137 0.80 GABRA1 (0.33)
SCHEMBL14707866 0.77 RAPGEF4 (0.36) MEN1KMT2A
SCHEMBL17149142 0.74
SCHEMBL17149141 0.74 MAOA (0.42)
SCHEMBL4633834 0.74 PTGS1 (0.50) NOS3NOS1NOS2
SCHEMBL17149153 0.73 TACR1 (0.34)
SCHEMBL17149194 0.73 TDP1 (0.43) MEN1KMT2A
SCHEMBL11170816 0.71 NR3C1 (0.39) NOS3NOS1NOS2
SCHEMBL18926474 0.69 MMP1 (0.40) NOS3NOS1NOS2

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
US-9815997-B2 Organic electroluminescence device and ink composition IDEMITSU KOSAN CO., LTD. (JP) 2017-11-14 US disclosed
US-20150284580-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND INK COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2015-10-08 US disclosed