SCHEMBL4881610

SCHEMBL4881610

O=C(O)Cc1c(CO)n(Cc2ccccc2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.55
PTGDR2 Q9Y5Y4 2/20 0.54
CYP19A1 P11511 1/20 0.51
PLA2G2A P14555 3/20 0.51
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.50
P2RX4 Q99571 1/20 0.50
PLA2G1B P04054 1/20 0.48
GFER P55789 1/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ABCB1 P08183 1/20 0.46
MAPK1 P28482 1/20 0.46
EGFR P00533 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL8174537 0.83 PTGDR2 (0.52) FOLH1PTGDR2CYP19A1PLA2G2AP2RX4
SCHEMBL8173620 0.79 FOLH1 (0.64) FOLH1PTGDR2CYP19A1PLA2G2AMAPT
SCHEMBL9584666 0.78 PLA2G2A (0.55) FOLH1PTGDR2CYP19A1PLA2G2AMAPT
SCHEMBL4780401 0.77 PLA2G2A (0.54) FOLH1PTGDR2CYP19A1PLA2G2AMAPT
SCHEMBL9584407 0.77 FOLH1 (0.52) FOLH1PTGDR2CYP19A1PLA2G2AMAPT
SCHEMBL13802422 0.75 PTGDR2 (0.76) PTGDR2PLA2G2AMAPTP2RX4PLA2G1B
SCHEMBL9584047 0.75 GFER (0.52) FOLH1PTGDR2CYP19A1PLA2G2AMAPT
SCHEMBL15564286 0.74 CYP19A1 (0.59) FOLH1CYP19A1PLA2G2AMAPTP2RX4
SCHEMBL4209387 0.74 PTGDR2 (0.74) PTGDR2PLA2G2AMAPTPLA2G1BGFER
SCHEMBL2002551 0.74 PLA2G2A (0.68) PLA2G2AABCB1

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