SCHEMBL6668221

SCHEMBL6668221

CCCCCCCCCCCCCCCC(CC)[N+]1([O-])CCCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
CA2 P00918 1/20 0.32
DNM1 Q05193 2/20 0.32
OPRM1 P35372 1/20 0.31
TSHR P16473 1/20 0.31
THRB P10828 1/20 0.31
GPR84 Q9NQS5 4/20 0.31
FDPS P14324 3/20 0.31
SPHK1 Q9NYA1 1/20 0.31
FFAR1 O14842 1/20 0.31
CA1 P00915 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
SCHEMBL17797108 0.76 LMNA (0.41) LMNACA2DNM1OPRM1
SCHEMBL6549547 0.74 FDPS (0.32) LMNACA2DNM1FDPS
SCHEMBL9150501 0.73 GPR84 (0.47) CA2GPR84FFAR1CA1
SCHEMBL9147371 0.73 GPR84 (0.47) CA2GPR84FFAR1CA1
SCHEMBL9147469 0.73 GPR84 (0.47) CA2GPR84FFAR1CA1
SCHEMBL9150631 0.73 GPR84 (0.47) CA2GPR84FFAR1CA1
SCHEMBL9154592 0.73 GPR84 (0.47) CA2GPR84FFAR1CA1
SCHEMBL9148973 0.73 GPR84 (0.47) CA2GPR84FFAR1CA1
SCHEMBL9152073 0.73 GPR84 (0.47) CA2GPR84FFAR1CA1
SCHEMBL9151390 0.70 GPR84 (0.44) CA2GPR84FFAR1CA1

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-2004028676-A1 OPACIFICIERS HUNTSMAN INTERNATIONAL LLC (US) 2004-04-08 WO disclosed