SCHEMBL7096267

SCHEMBL7096267

CC1CC2=C(C(=O)O1)C(c1ccccc1)C1=C(CC(C)OC1=O)N2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
BRD4 O60885 5/20 0.42
CREBBP Q92793 3/20 0.42
BRDT Q58F21 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR174 Q9BXC1 1/20 0.37
TSHR P16473 1/20 0.37
CA2 P00918 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MAOA P21397 1/20 0.36
ABCC9 O60706 2/20 0.36
KCNJ11 Q14654 2/20 0.36

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
SCHEMBL7095756 0.73 ABCC9 (0.58) LMNABRD4BRDTALDH1A1KDM4E
SCHEMBL7814667 0.67 MAPT (0.73) LMNAALDH1A1KDM4EMEN1MAPT
SCHEMBL7817258 0.66 GPR174 (0.72) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL7343713 0.66 MAPT (0.48) LMNAALDH1A1KDM4EMEN1MAPT
SCHEMBL7101255 0.60 ABCC9 (0.66) ABCC9KCNJ11
SCHEMBL981312 0.60 DYRK1A (0.69) LMNABRD4CREBBPALDH1A1MEN1
SCHEMBL11087119 0.60 ALDH1A1 (0.41) LMNABRD4CREBBPALDH1A1KDM4E
SCHEMBL2729912 0.60 SMN1; SMN2 (0.56) LMNABRD4CREBBPALDH1A1MAPT
SCHEMBL6779019 0.60 CYP2C19 (0.53) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL11309348 0.60 CYP2C19 (0.53) ALDH1A1KDM4EMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131322-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-09-12 EP claimed
WO-2000024741-A2 DIHYDROPYRIDINE COMPOUNDS AND THEIR USE AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-05-04 WO claimed
EP-1278746-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE Abbott Laboratories (US) 2003-01-29 EP disclosed
WO-2001083480-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 WO disclosed
EP-1131322-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-09-12 EP disclosed
WO-2000024741-A2 DIHYDROPYRIDINE COMPOUNDS AND THEIR USE AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed