SCHEMBL28116436

SCHEMBL28116436

CCC(=O)c1ccccc1-c1ccc(CC)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 7/20 0.49
SLC6A3 Q01959 3/20 0.45
SLC6A4 P31645 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BDKRB1 P46663 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PPARG P37231 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
AGTR1 P30556 1/20 0.42

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
SCHEMBL27627678 0.87 LTB4R2 (0.47) LTB4R2SMN1; SMN2MAPTL3MBTL1BDKRB1
SCHEMBL30505632 0.85 BCAT2 (0.57) LTB4R2SMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL3420505 0.85 BCAT2 (0.57) LTB4R2SMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL9125028 0.84 HSP90AB1 (0.49) LTB4R2SLC6A3SLC6A4SMN1; SMN2MAPT
SCHEMBL9542216 0.84 L3MBTL1 (0.46) LTB4R2SLC6A3SLC6A4SMN1; SMN2NPC1
SCHEMBL202160 0.84 LTB4R2 (0.61) LTB4R2SMN1; SMN2RAB9APPARGAGTR1
SCHEMBL27501308 0.84 KMT2A (0.50) LTB4R2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL27539512 0.84 BCAT2 (0.55) LTB4R2SMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL28693105 0.83 BCAT2 (0.46) LTB4R2SLC6A3SLC6A4SMN1; SMN2RAB9A
SCHEMBL847199 0.83 SLC6A3 (0.59) LTB4R2SLC6A3SLC6A4SMN1; SMN2NPC1

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-106547168-A A kind of black-matrix material compositionss and application 深圳市华星光电技术有限公司 2017-03-29 CN disclosed