SCHEMBL4345604

SCHEMBL4345604

CC1(C)Oc2cc(I)c(C(=O)N3CC4(C)CN(C(=O)c5cc6c(cc5I)OC(C)(C)O6)CC(C)(C3)C4=O)cc2O1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.33
CNR1 P21554 7/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 2/20 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
SCHEMBL4341690 0.74 ALDH1A1 (0.34) GAAALDH1A1MAPTCNR1KMT2A
SCHEMBL4347288 0.70 GAA (0.47) GAAALDH1A1TSHRMAPTALOX15
SCHEMBL4353448 0.62
SCHEMBL4347278 0.57 HPGD (0.59) GAAALDH1A1MAPTKMT2APOLB
SCHEMBL31085247 0.57 TSHR (0.46) ALDH1A1TSHRALOX15CNR1KDM4E
SCHEMBL4354062 0.56 ALDH1A1 (0.37) ALDH1A1POLB
SCHEMBL4358649 0.56 ALOX15 (0.56) GAAALDH1A1ALOX15KMT2AKDM4E
SCHEMBL11587479 0.56 HPGD (0.64) ALDH1A1TSHRALOX15CNR1KMT2A
SCHEMBL25388266 0.54 KDM4E (0.64) GAAALDH1A1TSHRMAPTALOX15
SCHEMBL2246805 0.54 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2POLB

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