SCHEMBL6239998

SCHEMBL6239998

CC(C)CCCCCCCCCCCC(=O)Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
KMT2A Q03164 4/20 0.44
ALOX5 P09917 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
HGFAC Q04756 1/20 0.42
MEN1 O00255 2/20 0.42
MAOB P27338 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL4608246 0.86 BCL9 (0.55) F2BCL9CTNNB1EGFRERBB2
SCHEMBL29769253 0.86 BCL9 (0.55) F2BCL9CTNNB1EGFRERBB2
SCHEMBL9168629 0.86 BCL9 (0.55) F2BCL9CTNNB1EGFRERBB2
SCHEMBL9551670 0.86 F2 (0.56) F2BCL9CTNNB1EGFRERBB2
SCHEMBL7069631 0.85 BCL9 (0.56) F2BCL9CTNNB1EGFRERBB2
SCHEMBL19203693 0.83 BCL9 (0.65) BCL9CTNNB1EGFRERBB2KMT2A
SCHEMBL27543803 0.83 BCL9 (0.57) F2BCL9CTNNB1EGFRERBB2
SCHEMBL5524169 0.83 F2 (0.58) F2BCL9CTNNB1KMT2AALOX5
SCHEMBL4849025 0.80 BCL9 (0.68) F2BCL9CTNNB1KMT2AALOX5
SCHEMBL27498672 0.80 F2 (0.48) F2BCL9CTNNB1EGFRERBB2

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
WO-2005014528-A1 STRAIGHT-CHAIN AND BRANCHED-CHAIN LIPID COMPOUNDS AS SELECTIVE INHIBITORS OF CYCLOOXYGENASE-2, ANTI-INFLAMMATORY AGENTS, AND ANTI-CANCER AGENTS YANG ZHENHUA (US) 2005-02-17 WO disclosed