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SCHEMBL10909016

SCHEMBL10909016

CCCCCCCCCCCCCCCCCSc1cc2c3cc(SCCCCCCCCCCCCCCCCC)c(SCCCCCCCCCCCCCCCCC)cc3c3cc(SCCCCCCCCCCCCCCCCC)c(SCCCCCCCCCCCCCCCCC)cc3c2cc1SCCCCCCCCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.44
▸ GPR84 Q9NQS5 8/20 0.41
▸ SCN9A Q15858 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CYSLTR2 Q9NS75 1/20 0.39
▸ CYSLTR1 Q9Y271 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
SCHEMBL31596238 1.00 PTGS2 (0.44) PTGS2GPR84SCN9ATHRBSCN5A
SCHEMBL10910640 1.00 PTGS2 (0.44) PTGS2GPR84SCN9ATHRBSCN5A
SCHEMBL10906598 1.00 PTGS2 (0.44) PTGS2GPR84SCN9ATHRBSCN5A
SCHEMBL10908852 1.00 PTGS2 (0.44) PTGS2GPR84SCN9ATHRBSCN5A
SCHEMBL10909177 1.00 PTGS2 (0.44) PTGS2GPR84SCN9ATHRBSCN5A
SCHEMBL10909011 1.00 PTGS2 (0.44) PTGS2GPR84SCN9ATHRBSCN5A
SCHEMBL10909807 1.00 PTGS2 (0.44) PTGS2GPR84SCN9ATHRBSCN5A
SCHEMBL10909939 1.00 PTGS2 (0.44) PTGS2GPR84SCN9ATHRBSCN5A
SCHEMBL10908497 1.00 PTGS2 (0.44) PTGS2GPR84SCN9ATHRBSCN5A
SCHEMBL10908741 1.00 PTGS2 (0.44) PTGS2GPR84SCN9ATHRBSCN5A

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-4631143-A Triphenylene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-12-23 — — US disclosed