SCHEMBL2456019

SCHEMBL2456019

CCCCCCCCCCCCCCCCCCCCCCCCc1c(C)cc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.48
CYP3A4 P08684 1/20 0.45
CCR5 P51681 2/20 0.45
HRH3 Q9Y5N1 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALOX5 P09917 5/20 0.42
GPR84 Q9NQS5 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
SCHEMBL1988145 1.00 PTGS2 (0.48) PTGS2CYP3A4CCR5HRH3NPC1
SCHEMBL2452906 1.00 PTGS2 (0.48) PTGS2CYP3A4CCR5HRH3NPC1
SCHEMBL8733028 1.00 PTGS2 (0.48) PTGS2CYP3A4CCR5HRH3NPC1
SCHEMBL28349815 0.98 PTGS2 (0.46) PTGS2CYP3A4CCR5HRH3NPC1
SCHEMBL30715778 0.90 HTT (0.52) PTGS2CYP3A4HRH3NPC1HPGD
SCHEMBL2452904 0.87 PTGS2 (0.42) PTGS2CYP3A4CCR5NPC1HPGD
SCHEMBL8732549 0.87 PTGS2 (0.42) PTGS2CYP3A4CCR5NPC1HPGD
SCHEMBL2456017 0.87 PTGS2 (0.42) PTGS2CYP3A4CCR5NPC1HPGD
SCHEMBL27893439 0.86 SKP2 (0.42) PTGS2CYP3A4CCR5NPC1HPGD
SCHEMBL27484327 0.86 SKP2 (0.42) PTGS2CYP3A4CCR5NPC1HPGD

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-8552232-B2 Biogenic turbine and diesel fuel SWIFT FUELS, LLC (US) 2013-10-08 US disclosed
US-20110230686-A1 Biogenic Turbine And Diesel Fuel SWIFT ENTERPRISES, LTD. (US) 2011-09-22 US disclosed