SCHEMBL4347288

SCHEMBL4347288

Cc1cc(C(=O)N2CC3(C)CN(C(=O)c4cc(C)c5c(c4Cl)OC(C)(C)O5)CC(C)(C2)C3=O)c(Cl)c2c1OC(C)(C)O2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.31
P2RX7 Q99572 1/20 0.30

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
SCHEMBL4345627 0.86 ALDH1A1 (0.33) GAAALDH1A1TSHRL3MBTL1HPGD
SCHEMBL4352206 0.76 GAA (0.39) GAAALOX15ALDH1A1MAPTTSHR
SCHEMBL4345604 0.70 GAA (0.50) GAAALOX15ALDH1A1MAPTTSHR
SCHEMBL4351227 0.67 GAA (0.46) GAAALDH1A1MAPTTSHRKMT2A
SCHEMBL4358658 0.62 GAA (0.34) GAAALOX15ALDH1A1KMT2AHPGD
SCHEMBL4354062 0.62 ALDH1A1 (0.37) ALDH1A1HPGDPOLB
SCHEMBL4347434 0.61 GAA (0.48) GAAALOX15ALDH1A1MAPTTSHR
SCHEMBL4344636 0.60 GAA (0.47) GAAALOX15ALDH1A1TSHRKMT2A
SCHEMBL14337900 0.59
SCHEMBL14337892 0.58 POLB (0.35) MAPTKMT2AKDM4EPOLB

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-2088149-A1 PHARMACOLOGICALLY ACTIVE N,N'-SUBSTITUTED 3,7-DIAZABICYCLO Ý3.3.1¨NONANES, PHARMACEUTICAL COMPOSITIONS BASED THEREON AND A METHOD FOR THE USE THEREOF Institute of Physiologically active compunds of the Russian Academy of Sciences (IPAC RAN) (RU) 2009-08-12 EP claimed
EP-2088149-A1 PHARMACOLOGICALLY ACTIVE N,N'-SUBSTITUTED 3,7-DIAZABICYCLO Ý3.3.1¨NONANES, PHARMACEUTICAL COMPOSITIONS BASED THEREON AND A METHOD FOR THE USE THEREOF Institute of Physiologically active compunds of the Russian Academy of Sciences (IPAC RAN) (RU) 2009-08-12 EP disclosed