SCHEMBL7202074

SCHEMBL7202074

CCOC(=O)C(C(=O)OCC)c1c(C(=O)c2ccc(Cl)cc2)[nH]c2ccc(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.42
KMT2A Q03164 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.42
XBP1 P17861 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.40
ALOX5 P09917 1/20 0.40
HCRTR1 O43613 1/20 0.40
RAB9A P51151 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
PTGS2 P35354 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
SCHEMBL7203048 0.91 ALDH1A1 (0.50) ALOX15KMT2ASMN1; SMN2HPGDMEN1
SCHEMBL7206948 0.89 KDM4E (0.48) ALOX15KMT2ASMN1; SMN2HPGDMEN1
SCHEMBL7205567 0.89 ALDH1A1 (0.42) ALOX15KMT2ASMN1; SMN2HPGDMEN1
SCHEMBL7206116 0.87 ALOX15 (0.54) ALOX15MDM2
SCHEMBL7203970 0.84 ALOX15 (0.53) ALOX15
SCHEMBL7207299 0.84 KDM4E (0.48) KMT2ASMN1; SMN2HPGDMEN1MAPT
SCHEMBL6170699 0.84 MAP2 (0.41) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL7203961 0.82 ALDH1A1 (0.50) ALOX15KMT2ASMN1; SMN2HPGDMEN1
SCHEMBL7202754 0.81 ALOX15 (0.53) ALOX15
SCHEMBL7202043 0.81 MDM2 (0.48) ALOX15HPGDALDH1A1CYP1A2XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed