SCHEMBL14636403

SCHEMBL14636403

CCOC(=O)Cc1ccccc1C1=CCN(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDK4 Q16654 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL16113010 0.81 TSHR (0.48) ALDH1A1MAPTKDM4ETDP1PDK4
SCHEMBL28352494 0.79 MEN1 (0.43) ALDH1A1MAPTTDP1PDK4MEN1
SCHEMBL22324761 0.77 ALDH1A1 (0.47) ALDH1A1MAPTPDK4MEN1KMT2A
SCHEMBL12712665 0.74 PDK4 (0.64) PDK4
SCHEMBL20993990 0.74 MAPT (0.50) ALDH1A1MAPTPDK4MEN1KMT2A
SCHEMBL16114190 0.73 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EPDK4MEN1
SCHEMBL6869489 0.73 MAPT (0.41) ALDH1A1MAPTKDM4ETDP1MEN1
SCHEMBL2390130 0.72 CYP4F2 (0.51) ALDH1A1MAPTKDM4ETDP1KMT2A
SCHEMBL17397683 0.72 ALDH1A1 (0.46) ALDH1A1MAPTPDK4MEN1KMT2A
SCHEMBL4678883 0.72 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EPDK4MEN1

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-2013010453-A1 CHEMOKING RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2013-01-24 WO disclosed