SCHEMBL3391587

SCHEMBL3391587

CC1=C(C(=O)O)C(C)(c2cccc3ccccc23)C(C(=O)O)=C(C)N1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
CBX7 O95931 1/20 0.38
CDY1; CDY1B Q9Y6F8 1/20 0.38
KIF11 P52732 2/20 0.38
PKM P14618 1/20 0.37
CDC25B P30305 1/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
WDR5 P61964 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MCL1 Q07820 1/20 0.34

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
SCHEMBL3393583 0.77 TSHR (0.40) KDM4EMEN1MAPTKMT2AHPGD
SCHEMBL3394045 0.76 MEN1 (0.34) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL3395257 0.70 MEN1 (0.41) KDM4EMEN1MAPTKMT2AMAPK1
SCHEMBL16308843 0.69 MAPT (0.59) KDM4EMEN1MAPTKMT2AMAPK1
SCHEMBL697151 0.62 AKR1C1 (0.48) KDM4EMEN1MAPTKMT2AMAPK1
SCHEMBL706765 0.62 NR4A1 (0.42) KDM4EMEN1MAPTKMT2ANR4A1
SCHEMBL28240863 0.61 MEN1 (0.53) KDM4EMEN1MAPTKMT2AMAPK1
Bicarbonate SCHEMBL809258 0.61 CYP2A6 (0.77) KDM4ENR4A1NR4A2NR4A3CDC25B
SCHEMBL8112531 0.61 AKR1C1 (0.52) NR4A1NR4A2NR4A3KIF11CDC25B
Naphthoic Acid SCHEMBL30401620 0.60 NR4A1 (0.91) KDM4EMEN1MAPTKMT2AMAPK1

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 4 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 claimed
WO-2009078934-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2009-06-25 WO claimed
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