SCHEMBL27558796

SCHEMBL27558796

CC(C)(CCc1ccccc1)NCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.51
KEAP1 Q14145 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
SLC6A2 P23975 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44

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
SCHEMBL2444854 0.81 LMNA (0.57) POLBSLC6A2ALDH1A1MAPK1SMN1; SMN2
Bromide SCHEMBL8855285 0.81 DPP4 (0.50) SSTR4NPC1RAB9AHDAC2HDAC8
SCHEMBL21058251 0.79 ATM (0.52) SSTR4NPC1RAB9AMAPTSLC6A2
SCHEMBL5608113 0.79 SSTR4 (0.44) SSTR4MAPTCASRADRB2ADRB1
SCHEMBL5358098 0.79 FOLH1 (0.50) ALDH1A1ADRB2CYP2C9
Bromide SCHEMBL8855394 0.78 NPC1 (0.60) NPC1RAB9AMAPTALDH1A1MAPK1
Bromide SCHEMBL11136046 0.78 DPP4 (0.43) SSTR4NPC1RAB9APOLBMAPT
SCHEMBL7113803 0.76 POLB (0.63) SSTR4NPC1RAB9APOLBMAPT
SCHEMBL10203428 0.75 LMNA (0.63) SSTR4NPC1RAB9APOLBMAPT
SCHEMBL11876143 0.75 TRPV1 (0.47) SSTR4CASRADRB2

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
CN-1328546-A Pyrrolidines as Neuraminidase Inhibitors ABBOTT LAB (US) 2001-12-26 CN disclosed