SCHEMBL7207299

SCHEMBL7207299

CCOC(=O)C(C(=O)OCC)c1c(C(=O)c2ccc(Cl)cc2)[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
MAPT P10636 5/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HCRTR1 O43613 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 3/20 0.47
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45
CYP2C19 P33261 1/20 0.45
TP53 P04637 1/20 0.44
HTR6 P50406 1/20 0.43
NR1H4 Q96RI1 2/20 0.43
GAA P10253 1/20 0.42
MCL1 Q07820 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42

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 0.88 ALDH1A1 (0.50) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL7203970 0.88 ALOX15 (0.53)
SCHEMBL7206948 0.86 KDM4E (0.48) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL7205430 0.86 ALOX15 (0.53) ALDH1A1CYP1A2HPGDXBP1CYP2C19
Water SCHEMBL27532088 0.85 ALOX15 (0.52) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL7202074 0.84 ALOX15 (0.42) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL7202754 0.84 ALOX15 (0.53)
SCHEMBL7203932 0.83 ALOX15 (0.50)
SCHEMBL6169573 0.83 MEN1 (0.46) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL7206116 0.82 ALOX15 (0.54)

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