SCHEMBL3392997

SCHEMBL3392997

CCN1C(C)=C(C(=O)O)C(CC)(c2ccc([N+](=O)[O-])cc2)C(C(=O)O)=C1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.38
SRD5A2 P31213 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 3/20 0.36
APOBEC3G Q9HC16 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AR P10275 2/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
ACHE P22303 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35

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
SCHEMBL4758273 0.81 CNR1 (0.39) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL10874214 0.78 TDP1 (0.38) TDP1LMNAMAPTKDM4EALDH1A1
SCHEMBL4755372 0.78 TSHR (0.39) TDP1LMNAMAPTKDM4EALDH1A1
SCHEMBL7429615 0.76 TDP1 (0.37) TDP1LMNAMAPTKDM4EALDH1A1
SCHEMBL4756165 0.75 TP53 (0.43) TDP1LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL4883866 0.74 TP53 (0.43) TDP1ATMLMNAMAPTALDH1A1
SCHEMBL9826311 0.74 CYSLTR2 (0.40) LMNAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL4758254 0.72 HCAR3 (0.39) TDP1LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL4756162 0.72 TDP1 (0.40) TDP1LMNAALDH1A1KMT2A
SCHEMBL28409208 0.71 TDP1 (0.45) TDP1SRD5A2LMNAMAPTKDM4E

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-2229167-A1 MINERALOCORTICOID RECEPTOR MODULATORS Merck Sharp & Dohme Corp. (US) 2010-09-22 EP disclosed
WO-2009078934-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2009-06-25 WO disclosed