SCHEMBL27768447

SCHEMBL27768447

CC(=O)Oc1c(C(C)C)n(Cc2ccc(O)cc2)c2cc(O)ccc12

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 17/20 0.48
PLA2G2A P14555 1/20 0.41
YWHAH Q04917 1/20 0.38
ABCB11 O95342 1/20 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
SCHEMBL27768492 0.93 S1PR3 (0.53) S1PR3PLA2G2A
SCHEMBL27768481 0.91 S1PR3 (0.48) S1PR3PLA2G2AABCB11
SCHEMBL27905705 0.90 S1PR3 (0.46) S1PR3PLA2G2AYWHAH
SCHEMBL27768470 0.84 S1PR3 (0.41) S1PR3PLA2G2A
SCHEMBL27789967 0.84 S1PR3 (0.53) S1PR3PLA2G2AABCB11
SCHEMBL27768594 0.81 S1PR3 (0.46) S1PR3PLA2G2AABCB11
SCHEMBL27789996 0.79 PLA2G2A (0.40) S1PR3PLA2G2AYWHAH
SCHEMBL27790041 0.79 S1PR3 (0.37) S1PR3YWHAH
SCHEMBL2006054 0.79 S1PR3 (0.60) S1PR3PLA2G2A
SCHEMBL2005441 0.77 PLA2G2A (0.52) S1PR3PLA2G2AYWHAH

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