SCHEMBL2456017

SCHEMBL2456017

CCCCCCCCCCCCCCCCc1c(C)cc(C)cc1CCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.42
ALOX5 P09917 5/20 0.42
TYR P14679 2/20 0.42
CYP3A4 P08684 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CCR5 P51681 2/20 0.41
LIPG Q9Y5X9 1/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8732549 1.00 PTGS2 (0.42) PTGS2ALOX5TYRCYP3A4HTT
SCHEMBL2452904 1.00 PTGS2 (0.42) PTGS2ALOX5TYRCYP3A4HTT
SCHEMBL2452906 0.87 PTGS2 (0.48) PTGS2ALOX5CYP3A4HTTCCR5
SCHEMBL8733028 0.87 PTGS2 (0.48) PTGS2ALOX5CYP3A4HTTCCR5
SCHEMBL1988145 0.87 PTGS2 (0.48) PTGS2ALOX5CYP3A4HTTCCR5
SCHEMBL2456019 0.87 PTGS2 (0.48) PTGS2ALOX5CYP3A4HTTCCR5
SCHEMBL28349815 0.85 PTGS2 (0.46) PTGS2ALOX5CYP3A4HTTCCR5
SCHEMBL11604047 0.81 ALOX5 (0.51) PTGS2ALOX5TYRCYP3A4HTT
SCHEMBL5739435 0.81 HTT (0.40) TYRHTTMAPTNPC1HPGD
SCHEMBL11340303 0.81 PTGS2 (0.54) PTGS2ALOX5TYRCYP3A4HTT

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