SCHEMBL16686234

SCHEMBL16686234

COC(=O)C1CC(C)(OCc2ccc(OC)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
P2RX7 Q99572 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
F2RL1 P55085 1/20 0.41
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL16685985 0.78 IDO1 (0.42) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL16685865 0.78 IDO1 (0.42) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL16685993 0.77 IDO1 (0.41) NPSR1
SCHEMBL22440077 0.76 HTT (0.44) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14722833 0.73 FABP7 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL21061656 0.73 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9APKM
SCHEMBL6928220 0.73 CDK5 (0.48) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL21061655 0.73 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9APKM
SCHEMBL26633765 0.73 SMN1; SMN2 (0.64) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL16685927 0.72 HTT (0.45) HTTALDH1A1SMN1; 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-2015066413-A1 OXAZOLIDINONE HYDROXAMIC ACID COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2015-05-07 WO disclosed