SCHEMBL6692386

SCHEMBL6692386

CCN1C(=O)C(C(=O)OC)C(=O)c2ccc(SCCN)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
ALDH1A1 P00352 5/20 0.33
GAA P10253 3/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.32
CYP1A2 P05177 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL4385104 0.69 BRD4 (0.38) USP2ALDH1A1GAATSHRMEN1
SCHEMBL9667378 0.64 CASP3 (0.48) USP2ALDH1A1GAAKDM4ETSHR
SCHEMBL6692389 0.63 ALDH1A1 (0.35) ALDH1A1GAAKDM4ETSHRTDP1
SCHEMBL5868634 0.62 PARK7 (0.36) USP2ALDH1A1GAAKDM4ETSHR
SCHEMBL9667216 0.61 KMT2A (0.46) USP2ALDH1A1GAAKDM4ETSHR
SCHEMBL9667758 0.61 USP2 (0.43) USP2ALDH1A1GAAKDM4ETSHR
SCHEMBL9666290 0.60 USP2 (0.42) USP2ALDH1A1GAAKDM4ETSHR
SCHEMBL9668245 0.60 USP2 (0.42) USP2ALDH1A1GAAKDM4ETSHR
SCHEMBL4399700 0.60 ALDH1A1 (0.38) ALDH1A1GAAKDM4ESMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL443786 0.59 LOXL2 (0.54) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004101584-A1 MACROLIDES SUBSTITUTED AT THE 3-POSITION HAVING ANTIMICROBIAL ACTIVITY GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed