SCHEMBL3395257

SCHEMBL3395257

CCN1C(C)=C(C(=O)O)C(CC)(c2cccc3ccccc23)C(C(=O)O)=C1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
CBX7 O95931 1/20 0.35
CDYL Q9Y232 1/20 0.35
CDY1; CDY1B Q9Y6F8 1/20 0.35
ELANE P08246 1/20 0.35
AKR1B1 P15121 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
KIF11 P52732 1/20 0.34
CDC25B P30305 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR1 P21554 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
SCHEMBL4755316 0.82 HCAR2 (0.36) MEN1KMT2AALDH1A1CNR1
SCHEMBL4758299 0.79 LMNA (0.42) MEN1KMT2AALDH1A1TDP1
SCHEMBL4755372 0.78 TSHR (0.39) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL4084609 0.74 PRNP (0.40) KMT2AKDM4EALDH1A1HPGDTDP1
SCHEMBL4083951 0.72 IKBKB (0.39) MEN1MAPTKMT2ANPSR1KDM4E
SCHEMBL3391587 0.70 KDM4E (0.44) MEN1MAPTKMT2ANPSR1NR4A1
SCHEMBL3392997 0.67 TDP1 (0.40) MEN1MAPTKMT2AKDM4EMAPK1
SCHEMBL4757277 0.65 TSHR (0.34) NPSR1KDM4EALDH1A1
SCHEMBL11008245 0.61 LMNA (0.39) MEN1KMT2ATDP1
SCHEMBL7464714 0.61 SLC6A3 (0.59) MEN1MAPTKMT2ANPSR1ELANE

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