SCHEMBL30338358

SCHEMBL30338358

CC(C)(OCc1ccc(Br)cc1)OCc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
APP P05067 1/20 0.42
MAOB P27338 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
HTT P42858 1/20 0.41
TAAR1 Q96RJ0 3/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2A P28223 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1567600 0.90 IDO1 (0.47) IDO1APPMAOBNPC1RAB9A
SCHEMBL11957478 0.86 IDO1 (0.52) IDO1APPMAOBNPC1RAB9A
SCHEMBL22853744 0.79 ESR1 (0.54) IDO1CA2LMNAHPGD
SCHEMBL22833483 0.79 ESR1 (0.54) IDO1CA2LMNAHPGD
SCHEMBL21824144 0.77 IDO1 (0.52) IDO1APPMAOBNPC1RAB9A
SCHEMBL13973832 0.77 PPARG (0.44) IDO1SMN1; SMN2CA12CA1CA2
SCHEMBL18217416 0.77 ALDH1A1 (0.44) IDO1APPMAOBNPC1RAB9A
SCHEMBL30932507 0.77 IDO1 (0.50) IDO1MAOB
SCHEMBL2215266 0.77 RXRA (0.46) IDO1MAOBLMNARXRARXRB
SCHEMBL10940340 0.76 TSHR (0.52) IDO1NPC1RAB9ASMN1; SMN2CA1

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-111362833-B Double anthracene D-delta-A type deep blue organic fluorescent material and preparation method and application thereof 陕西师范大学 2023-04-25 CN disclosed