SCHEMBL8867477

SCHEMBL8867477

Cc1ccc(C(=O)Nc2ccc(CC[O])cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.71
RAB9A P51151 7/20 0.71
CCR5 P51681 2/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
MAPT P10636 2/20 0.60
ENPP1 P22413 1/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
TRPV1 Q8NER1 1/20 0.54
NR1H4 Q96RI1 2/20 0.54
NAMPT P43490 2/20 0.53
P4HTM Q9NXG6 2/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
MCL1 Q07820 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP2C19 P33261 1/20 0.52
PKM P14618 1/20 0.51
USP2 O75604 1/20 0.50

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
SCHEMBL8868321 0.87 CACNA1B (0.63) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL25815514 0.87 NPC1 (0.71) NPC1RAB9ACCR5SMN1; SMN2MAPT
SCHEMBL8361574 0.87 NPC1 (0.71) NPC1RAB9ACCR5SMN1; SMN2MAPT
SCHEMBL8867481 0.87 NPC1 (0.71) NPC1RAB9ACCR5SMN1; SMN2MAPT
SCHEMBL8868824 0.87 NPC1 (0.71) NPC1RAB9ACCR5SMN1; SMN2MAPT
SCHEMBL24935348 0.84 NPC1 (0.67) NPC1RAB9ACCR5SMN1; SMN2MAPT
SCHEMBL8867185 0.84 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL8363015 0.84 TRPV1 (0.76) NPC1RAB9ACCR5SMN1; SMN2MAPT
SCHEMBL17664553 0.84 NR1H4 (0.74) NPC1RAB9ACCR5SMN1; SMN2MAPT
SCHEMBL12310125 0.84 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MAPTMEN1

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
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed