SCHEMBL7248381

SCHEMBL7248381

CCCCCCCCCc1cc(C)c(O)c(C(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.50
KAT8 Q9H7Z6 2/20 0.50
CYP3A4 P08684 2/20 0.47
PPARA Q07869 1/20 0.47
GPR84 Q9NQS5 2/20 0.46
HMGB1 P09429 1/20 0.46
CXCL12 P48061 1/20 0.46
RARB P10826 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
ESR1 P03372 3/20 0.43
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SHBG P04278 1/20 0.42

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
SCHEMBL7249710 1.00 PTGS2 (0.50) PTGS2KAT8CYP3A4PPARAGPR84
SCHEMBL7783721 0.88 HMGB1 (0.63) PTGS2KAT8CYP3A4PPARAGPR84
SCHEMBL7782524 0.88 HMGB1 (0.63) PTGS2KAT8CYP3A4PPARAGPR84
SCHEMBL334544 0.88 HMGB1 (0.63) PTGS2KAT8CYP3A4PPARAGPR84
SCHEMBL23399928 0.87 HMGB1 (0.51) PTGS2KAT8HMGB1CXCL12TRPV1
SCHEMBL334671 0.86 HMGB1 (0.61) PTGS2KAT8CYP3A4PPARAGPR84
Zinc Ion SCHEMBL334669 0.85 GPR84 (0.51) PTGS2KAT8CYP3A4PPARAGPR84
SCHEMBL199839 0.83 PTGS2 (0.64) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL21612724 0.83 PTGS2 (0.64) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL7953613 0.83 PTGS2 (0.64) PTGS2CYP3A4GPR84ESR1ADRA2A

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-6632410-B2 Using hydroxyaryloxime for aqueous feedstock solution containing dissolved copper and iron values COGNIS CORPORATION 2003-10-14 US disclosed
US-20010055553-A1 Method for separating copper from iron KANG SANG I (US) 2001-12-27 US disclosed
WO-2001012589-A1 METHOD FOR SEPARATING COPPER FROM IRON COGNIS CORPORATION (US) 2001-02-22 WO disclosed