SCHEMBL4764879

SCHEMBL4764879

CCc1cc2c(OCC(=O)O)nccc2n1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 14/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
MAPT P10636 2/20 0.42
PKM P14618 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PLA2G1B P04054 6/20 0.42
PLA2G10 O15496 5/20 0.42
PLA2G5 P39877 5/20 0.42
PLA2G2E Q9NZK7 5/20 0.42
PLA2G2F Q9BZM2 2/20 0.42
PLA2G2D Q9UNK4 2/20 0.42
PLA2G6 O60733 1/20 0.41
PLA2G2C Q5R387 1/20 0.41
PLA2G12B Q9BX93 1/20 0.41
PLA2G12A Q9BZM1 1/20 0.41
PLA2G3 Q9NZ20 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3205580 0.89 MEN1 (0.45) PLA2G2AMTNR1AMTNR1BMAPTPKM
SCHEMBL14531450 0.87 UTS2R (0.41) MTNR1AMTNR1BMAPTPKMALDH1A1
SCHEMBL4364785 0.86 MAPK1 (0.49) PLA2G2AMAPTPKMALDH1A1PLA2G1B
SCHEMBL4764868 0.85 PLA2G2A (0.48) PLA2G2AMAPTPKMALDH1A1PLA2G1B
SCHEMBL3186290 0.78 TSHR (0.50) PLA2G2AMAPTPKMALDH1A1KDM4E
SCHEMBL3196227 0.76 SQOR (0.45) PLA2G2AMAPTALDH1A1PLA2G1BPLA2G10
SCHEMBL3198895 0.74 BRD4 (0.46) PLA2G2AMAPTPKMALDH1A1KDM4E
SCHEMBL8502661 0.74 MTNR1A (0.53) PLA2G2AMTNR1AMTNR1BMAPTPKM
SCHEMBL22533505 0.73 DCTPP1 (0.40) MTNR1AMTNR1BMAPT
SCHEMBL5765082 0.73 PKM (0.43) PLA2G2AMTNR1AMTNR1BMAPTPKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960356-A2 MULTIVALENT INDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS Ilypsa, Inc. (US) 2008-08-27 EP disclosed
EP-1948656-A2 AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS Ilypsa, Inc. (US) 2008-07-30 EP disclosed
WO-2007056281-A2 MULTIVALENT INDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
WO-2007056184-A2 AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed