SCHEMBL14980935

SCHEMBL14980935

CNC(=O)C1CCCCC1(O)C(=O)c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.44
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
EPHX2 P34913 2/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL17296893 0.87 ATM (0.53) SLC6A4SLC6A3EPHX2ATML3MBTL1
SCHEMBL13398104 0.86 POLB (0.43) SLC6A4SLC6A3EPHX2ATML3MBTL1
SCHEMBL14980937 0.85 POLB (0.42) SLC6A4SLC6A3EPHX2ATML3MBTL1
SCHEMBL3315274 0.85 MAPK1 (0.45) SLC6A4SLC6A3EPHX2ATML3MBTL1
SCHEMBL14980950 0.85 ALDH1A1 (0.39) SLC6A3EPHX2ALDH1A1MAPTNPC1
SCHEMBL14980948 0.84 NPC1 (0.46) SLC6A4SLC6A3EPHX2ATML3MBTL1
SCHEMBL3316993 0.83 NPC1 (0.44) SLC6A4SLC6A3EPHX2ALDH1A1NPC1
SCHEMBL3318810 0.83 ALDH1A1 (0.47) L3MBTL1ALDH1A1NPC1RAB9AHPGD
SCHEMBL13398117 0.83 GAA (0.47) SLC6A4SLC6A3EPHX2L3MBTL1MAPK1
SCHEMBL3314282 0.82 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AHPGDPOLB

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
EP-2129659-B1 ALPHA-HYDROXYKETONES BASF SE (DE) 2013-05-29 EP disclosed