SCHEMBL4780401

SCHEMBL4780401

CC(C)(O)c1c(CC(=O)O)c2ccccc2n1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.54
PTGDR2 Q9Y5Y4 2/20 0.54
FOLH1 Q04609 2/20 0.52
PLA2G1B P04054 1/20 0.48
GFER P55789 1/20 0.48
CYP19A1 P11511 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
P2RX4 Q99571 1/20 0.47
EGFR P00533 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.44

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
SCHEMBL9584666 0.77 PLA2G2A (0.55) PLA2G2APTGDR2FOLH1PLA2G1BGFER
SCHEMBL5385729 0.77 CNR2 (0.46) PLA2G2ACYP19A1P2RX4SMN1; SMN2MAPT
SCHEMBL4881610 0.77 FOLH1 (0.55) PLA2G2APTGDR2FOLH1PLA2G1BGFER
SCHEMBL8173620 0.76 FOLH1 (0.64) PLA2G2APTGDR2FOLH1PLA2G1BGFER
SCHEMBL5413326 0.75 CYP19A1 (0.43) PLA2G2AGFERCYP19A1P2RX4SMN1; SMN2
SCHEMBL13802422 0.75 PTGDR2 (0.76) PLA2G2APTGDR2PLA2G1BGFERTHRA
SCHEMBL9584407 0.74 FOLH1 (0.52) PLA2G2APTGDR2FOLH1PLA2G1BGFER
SCHEMBL4209387 0.74 PTGDR2 (0.74) PLA2G2APTGDR2PLA2G1BGFERTHRA
Water SCHEMBL9584494 0.73 PTGDR2 (0.51) PLA2G2APTGDR2FOLH1PLA2G1BGFER
SCHEMBL13802405 0.73 PTGDR2 (0.70) PLA2G2APTGDR2PLA2G1BGFERTHRA

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
EP-1931632-A2 USEFUL INDOLE COMPOUNDS Microbia Inc. (US) 2008-06-18 EP disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed