SCHEMBL11566892

SCHEMBL11566892

CCCCCCCCCCCCSc1cc(SCCCCCCCCCCCC)c(SCCCCCCCCCCCC)cc1SCCCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.46
GPR84 Q9NQS5 8/20 0.43
SCN9A Q15858 2/20 0.42
SCN5A Q14524 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11562856 1.00 PTGS2 (0.46) PTGS2GPR84SCN9ASCN5ATHRB
SCHEMBL11566809 1.00 PTGS2 (0.46) PTGS2GPR84SCN9ASCN5ATHRB
SCHEMBL10906598 0.91 PTGS2 (0.44) PTGS2GPR84SCN9ASCN5ATHRB
SCHEMBL10909939 0.91 PTGS2 (0.44) PTGS2GPR84SCN9ASCN5ATHRB
SCHEMBL10909016 0.91 PTGS2 (0.44) PTGS2GPR84SCN9ASCN5ATHRB
SCHEMBL10909011 0.91 PTGS2 (0.44) PTGS2GPR84SCN9ASCN5ATHRB
SCHEMBL10909807 0.91 PTGS2 (0.44) PTGS2GPR84SCN9ASCN5ATHRB
SCHEMBL10909177 0.91 PTGS2 (0.44) PTGS2GPR84SCN9ASCN5ATHRB
SCHEMBL10908497 0.91 PTGS2 (0.44) PTGS2GPR84SCN9ASCN5ATHRB
SCHEMBL10910640 0.91 PTGS2 (0.44) PTGS2GPR84SCN9ASCN5ATHRB

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-4163006-A AGAINST OXIDATIVE AND UV LIGHT DEGRADATION CIBA-GEIGY CORPORATION (US) 1979-07-31 US disclosed