SCHEMBL9770221

SCHEMBL9770221

CC1=C(C(=O)O)C(c2cccc(Cl)c2Cl)C(C(=O)OC(C)C)=C(COC(N)=O)N1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGM P11217 16/20 0.52
PYGL P06737 15/20 0.52
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2C9 P11712 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 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
SCHEMBL9133557 0.80 CYP2C9 (0.50) PYGMPYGLLMNACYP2C9KDM4E
SCHEMBL7275567 0.79 PYGL (0.49) PYGMPYGLLMNACYP2C9KDM4E
SCHEMBL7945527 0.77 LMNA (0.47) PYGMPYGLLMNAL3MBTL1CYP2C9
SCHEMBL4881545 0.76 LMNA (0.61) PYGMPYGLLMNAL3MBTL1CYP2C9
SCHEMBL29664498 0.74 CYP2C9 (0.60) PYGMPYGLLMNACYP2C9KDM4E
SCHEMBL7273889 0.74 CYP2C9 (0.60) PYGMPYGLLMNACYP2C9KDM4E
Lemildipine SCHEMBL49443 0.74 CYP2C9 (0.62) PYGMPYGLLMNACYP2C9KDM4E
Lemildipine SCHEMBL49442 0.74 CYP2C9 (0.62) PYGMPYGLLMNACYP2C9KDM4E
Lemildipine SCHEMBL29801339 0.74 CYP2C9 (0.62) PYGMPYGLLMNACYP2C9KDM4E
SCHEMBL28489460 0.72 PYGM (0.59) PYGMPYGLALDH1A1

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-5028433-A Vasodilators, Circulatory Diseases, Hypotensive Agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-07-02 US disclosed