SCHEMBL8399182

SCHEMBL8399182

CCC(C)c1cccc(N(C(=N)NC)c2cccc(C(C)CC)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C9 P11712 1/20 0.34
SLC22A1 O15245 1/20 0.32
OPRM1 P35372 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32

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
SCHEMBL6716723 0.87 HDAC4 (0.43) HDAC4HDAC2HDAC8ALDH1A1GAA
SCHEMBL8802526 0.82 HDAC4 (0.46) HDAC4HDAC2HDAC8ALDH1A1GAA
SCHEMBL12786103 0.76 HDAC4 (0.53) HDAC4HDAC2HDAC8ALDH1A1GAA
SCHEMBL4983826 0.75 ALDH1A1 (0.41) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL13878120 0.74 HDAC4 (0.50) HDAC4HDAC2HDAC8ALDH1A1GAA
SCHEMBL8801979 0.73 HDAC4 (0.44) HDAC4HDAC2HDAC8ALDH1A1GAA
SCHEMBL12299163 0.73 HDAC4 (0.49) HDAC4HDAC2HDAC8ALDH1A1GAA
SCHEMBL24687854 0.71 HDAC4 (0.47) HDAC4HDAC2HDAC8ALDH1A1GAA
SCHEMBL1006801 0.71 HDAC4 (0.62) HDAC4HDAC2HDAC8ALDH1A1GAA
SCHEMBL11317482 0.70 HDAC4 (0.50) HDAC4HDAC2HDAC8ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed
EP-0751767-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP disclosed
EP-0751767-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-01-08 EP disclosed
WO-1995020950-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-08-10 WO disclosed