SCHEMBL27768508

SCHEMBL27768508

CC(=O)Oc1c(C(C)C)n(Cc2cccc(O)c2)c2cccc(O)c12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.40
MIF P14174 6/20 0.38
CD74 P04233 2/20 0.38
CYP3A4 P08684 1/20 0.37
S1PR3 Q99500 3/20 0.36
YWHAH Q04917 1/20 0.35
BRD4 O60885 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL27789956 0.90 PLA2G2A (0.48) PLA2G2AS1PR3
SCHEMBL27789996 0.89 PLA2G2A (0.40) PLA2G2AS1PR3YWHAH
SCHEMBL27768594 0.83 S1PR3 (0.46) PLA2G2AMIFCD74CYP3A4S1PR3
SCHEMBL27905705 0.83 S1PR3 (0.46) PLA2G2AMIFCD74CYP3A4S1PR3
SCHEMBL27768472 0.83 PLA2G2A (0.36) PLA2G2AS1PR3BRD4
SCHEMBL4666719 0.83 CYP3A4 (0.37) PLA2G2AMIFCD74CYP3A4S1PR3
SCHEMBL2012404 0.81 PLA2G2A (0.43) PLA2G2AMIFCD74S1PR3YWHAH
SCHEMBL2004847 0.79 PLA2G2A (0.49) PLA2G2AMIFS1PR3YWHAH
SCHEMBL27789967 0.76 S1PR3 (0.53) PLA2G2AS1PR3
SCHEMBL27768492 0.76 S1PR3 (0.53) PLA2G2AS1PR3

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
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed