SCHEMBL5072220

SCHEMBL5072220

CCCCCCCCCCCCCCCCc1cc(C(=O)O)ccc1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
NOD2 Q9HC29 1/20 0.47
ALDH1A1 P00352 2/20 0.47
PLA2G4B P0C869 1/20 0.47
MEN1 O00255 1/20 0.47
RARA P10276 1/20 0.47
MAPT P10636 1/20 0.47
MTOR P42345 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.46
PLA2G2D Q9UNK4 1/20 0.45
PTPN11 Q06124 1/20 0.45

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
SCHEMBL9355722 0.92 TSHR (0.56) TSHRTP53KDM4EALDH1A1PLA2G4B
SCHEMBL3336310 0.92 TSHR (0.56) TSHRTP53KDM4EALDH1A1PLA2G4B
SCHEMBL28897058 0.92 TSHR (0.56) TSHRTP53KDM4EALDH1A1PLA2G4B
SCHEMBL11646248 0.92 TSHR (0.56) TSHRTP53KDM4EALDH1A1PLA2G4B
SCHEMBL22719984 0.92 TSHR (0.56) TSHRTP53KDM4EALDH1A1PLA2G4B
SCHEMBL17995727 0.92 TSHR (0.56) TSHRTP53KDM4EALDH1A1PLA2G4B
SCHEMBL27968722 0.92 KDM4E (0.49) RARBTSHRTP53KDM4ENOD2
SCHEMBL1333648 0.92 KDM4E (0.49) RARBTSHRTP53KDM4ENOD2
SCHEMBL26622691 0.91 TSHR (0.55) RARBTSHRTP53KDM4EALDH1A1
SCHEMBL9356169 0.91 TSHR (0.55) RARBTSHRTP53KDM4EALDH1A1

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-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed