SCHEMBL1629294

SCHEMBL1629294

CCCCc1cc(C(C)C(=O)NNC(=O)C(C)c2cc(CCCC)c(O)c(CCCC)c2)cc(CCCC)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
TYR P14679 2/20 0.40
ALOX5 P09917 5/20 0.39
PTGS2 P35354 3/20 0.38
FFAR1 O14842 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
ADRB2 P07550 3/20 0.33

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
SCHEMBL873197 0.88 EGFR (0.39) EGFRTYRALOX5PTGS2FFAR1
SCHEMBL14293919 0.87 TRPV1 (0.39) EGFRPTGS2KMT2AALDH1A1GAA
SCHEMBL4854736 0.84 EGFR (0.43) EGFRTYRALOX5PTGS2FFAR1
SCHEMBL872522 0.84 EGFR (0.43) EGFRTYRALOX5PTGS2FFAR1
SCHEMBL328706 0.83 ALOX5 (0.41) EGFRTYRALOX5PTGS2MAOA
SCHEMBL10272267 0.83 ALOX5 (0.41) EGFRTYRALOX5PTGS2MAOA
SCHEMBL13013439 0.83 EGFR (0.48) EGFRTYRALOX5PTGS2FFAR1
SCHEMBL872574 0.80 EGFR (0.40) EGFRTYRALOX5PTGS2FFAR1
SCHEMBL13013000 0.80 FFAR1 (0.43) EGFRALOX5PTGS2FFAR1MEN1
SCHEMBL11822461 0.79 ALOX5 (0.43) EGFRTYRALOX5PTGS2MEN1

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-20110088595-A1 PIGMENT PREPARATIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-04-21 US disclosed
WO-1995006651-A1 HYDROLYTICALLY STABLE PENTAERYTHRITOL DIPHOSPHITES DOVER CHEMICAL CORPORATION (US) 1995-03-09 WO disclosed