SCHEMBL4575502

SCHEMBL4575502

CCCCCCCCCCCCCC(CC(=O)Oc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZDHHC2 Q9UIJ5 1/20 0.41
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
FAAH O00519 6/20 0.41
MGLL Q99685 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CNR2 P34972 1/20 0.39
PPARG P37231 4/20 0.38
PPARA Q07869 2/20 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
SCHEMBL28843462 0.90 BCL9 (0.47) ZDHHC2BCL9CTNNB1FAAHMGLL
SCHEMBL28322019 0.90 BCL9 (0.47) ZDHHC2BCL9CTNNB1FAAHMGLL
SCHEMBL16399710 0.89 EGFR (0.48) ZDHHC2BCL9CTNNB1EGFRERBB2
SCHEMBL28120693 0.84 BCL9 (0.49) ZDHHC2BCL9CTNNB1FAAHMGLL
SCHEMBL17674187 0.84 BCL9 (0.43) BCL9CTNNB1EGFRERBB2ALDH1A1
SCHEMBL28143161 0.82 EGFR (0.49) BCL9CTNNB1MGLLEGFRERBB2
SCHEMBL5075409 0.81 ZDHHC2 (0.50) ZDHHC2FAAHALDH1A1CNR2
SCHEMBL5079134 0.81 ZDHHC2 (0.50) ZDHHC2FAAHALDH1A1CNR2
SCHEMBL5075436 0.81 ZDHHC2 (0.50) ZDHHC2FAAHALDH1A1CNR2
SCHEMBL5076058 0.81 ZDHHC2 (0.50) ZDHHC2FAAHALDH1A1CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150191607-A1 Anti-fouling Paints and Coatings REACTIVE SURFACES, LTD (US) 2015-07-09 US disclosed
US-20080213858-A1 Stabilization of Enzymes CSIR (ZA) 2008-09-04 US disclosed
WO-2000013487-A2 PLANT FUNGUS INHIBITING COMPOUNDS, PROCESS FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE IN A METHOD FOR COMBATTING PLANT FUNGI GREEN CARE LABORATORIES LTD. (IL) 2000-03-16 WO disclosed