SCHEMBL27768492

SCHEMBL27768492

CC(=O)Oc1c(C(C)C)n(Cc2ccccc2)c2cc(O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 15/20 0.53
PLA2G2A P14555 2/20 0.49
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
PKM P14618 2/20 0.45
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
MITF O75030 1/20 0.43

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
SCHEMBL27768447 0.93 S1PR3 (0.48) S1PR3PLA2G2A
SCHEMBL27905705 0.92 S1PR3 (0.46) S1PR3PLA2G2AMAPTALDH1A1GAA
SCHEMBL27789967 0.91 S1PR3 (0.53) S1PR3PLA2G2AMAPTALDH1A1GAA
SCHEMBL27768470 0.87 S1PR3 (0.41) S1PR3PLA2G2AMAPTALDH1A1GAA
SCHEMBL27790054 0.85 PLA2G2A (0.61) PLA2G2AMAPTALDH1A1GAAPKM
SCHEMBL27768481 0.84 S1PR3 (0.48) S1PR3PLA2G2AMAPTALDH1A1GAA
SCHEMBL27768594 0.83 S1PR3 (0.46) S1PR3PLA2G2AMAPTALDH1A1GAA
SCHEMBL4664582 0.83 PLA2G2A (0.54) S1PR3PLA2G2AMAPTALDH1A1GAA
SCHEMBL2010316 0.81 S1PR3 (0.65) S1PR3PLA2G2AMAPTALDH1A1GAA
SCHEMBL2001945 0.79 PLA2G2A (0.60) S1PR3PLA2G2AMAPTALDH1A1GAA

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