SCHEMBL5490266

SCHEMBL5490266

CCCc1cc(N)c(CCC)c(CCC)c1CCC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.34
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
HMGCR P04035 1/20 0.31
AR P10275 1/20 0.31
SKP2 Q13309 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
SCHEMBL9690320 0.84 NOS2 (0.33) NOS2NOS3NOS1HMGCRAR
SCHEMBL840292 0.84 NOS2 (0.33) NOS2NOS3NOS1HMGCRAR
SCHEMBL4633587 0.83 HMGCR (0.37) NOS2HMGCR
SCHEMBL11818168 0.81 TLR8 (0.40) SKP2
SCHEMBL29115679 0.78 PTK2 (0.39) NOS2NOS3NOS1HMGCRAR
SCHEMBL1534142 0.77 NOS2 (0.38) NOS2SKP2
SCHEMBL2317715 0.77 NOS2 (0.35) NOS2NOS3NOS1SKP2
Water SCHEMBL8332435 0.76 NOS2 (0.37) NOS2SKP2
Hydrochloric Acid SCHEMBL11386534 0.76 NOS2 (0.37) NOS2SKP2
SCHEMBL19972018 0.74 NOS2 (0.32) NOS2

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
WO-2007100999-A2 ELECTROCHEMICAL CELLS HAVING AN ELECTROLYTE WITH SWELLING REDUCING ADDITIVES MEDTRONIC, INC. (US) 2007-09-07 WO claimed