SCHEMBL7295115

SCHEMBL7295115

CCOC(=O)C(c1ccccc1OC)C(C[N+](=O)[O-])c1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
HPGD P15428 4/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP2C19 P33261 2/20 0.44
EDNRA P25101 3/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 2/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40

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
SCHEMBL7295081 0.86 GAA (0.52) GAAHPGDALDH1A1EDNRAMAPT
SCHEMBL4998200 0.77 KMT2A (0.48) GAAALDH1A1CYP2C19EDNRAMAPT
SCHEMBL4997834 0.77 ALDH1A1 (0.43) GAAHPGDALDH1A1CYP2C19EDNRA
SCHEMBL16809405 0.76 ALDH1A1 (0.63) GAAHPGDALDH1A1CYP2C19EDNRA
SCHEMBL29896531 0.73 ALDH1A1 (0.52) GAAALDH1A1CYP2C19MAPTLMNA
SCHEMBL4998310 0.73 KMT2A (0.54) ALDH1A1EDNRAMAPTLMNATP53
SCHEMBL14543573 0.73 ALDH1A1 (0.41) GAAHPGDALDH1A1CYP2C19EDNRA
SCHEMBL7260564 0.72 ALDH1A1 (0.52) GAAHPGDALDH1A1CYP2C19EDNRA
SCHEMBL7304734 0.72 ALDH1A1 (0.54) GAAALDH1A1CYP2C19MAPTLMNA
SCHEMBL16468170 0.71 LMNA (0.48) HPGDALDH1A1CYP2C19EDNRAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5444083-A DOPAMINE AGONIST FOR TREATING OR PREVENTION OF HYPERTENSION OR HEART FAILURE EISAI CO., LTD. (JP) 1995-08-22 US disclosed
EP-0381235-B1 PYRROLIDINE COMPOUND AND PHARMACEUTICAL USE Eisai Co., Ltd. (JP) 1993-07-28 EP disclosed
EP-0381235-A2 Pyrrolidine compound and pharmaceutical use Eisai Co., Ltd. (JP) 1990-08-08 EP disclosed