SCHEMBL8980233

SCHEMBL8980233

O=C(O)CCCc1cc2ncsc2cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
F13A1 P00488 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
POLB P06746 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
FFAR1 O14842 2/20 0.34
HDAC3 O15379 1/20 0.34
MAPK1 P28482 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL8980140 0.91 NPC1 (0.44) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL8980189 0.86 NPC1 (0.40) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL8980144 0.86 PPARG (0.44) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL16431021 0.83 NPC1 (0.45) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL21067445 0.79 ALOX5 (0.46) KDM4ETDP1ALOX15HTT
SCHEMBL24868156 0.78 NPC1 (0.42) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL8980180 0.77 NPC1 (0.45) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL8980391 0.77 NPC1 (0.42) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL8980301 0.72 PTGER4 (0.45) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL352444 0.71 NPC1 (0.53) NPC1RAB9AKDM4EHKDC1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591786-B1 Photosensitive composition FUJI PHOTO FILM CO LTD (JP) 1996-05-15 EP disclosed
EP-0591786-A2 Photosensitive composition FUJI PHOTO FILM CO., LTD. (JP) 1994-04-13 EP disclosed