SCHEMBL22980475

SCHEMBL22980475

OB(O)c1ccc2cc3oc4ccccc4c3cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
AHR P35869 2/20 0.45
MAPT P10636 6/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.38
MAOA P21397 4/20 0.38
HSD17B10 Q99714 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MGLL Q99685 1/20 0.38
GLA P06280 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL27137783 1.00 CA1 (0.53) CA1CA2AHRMAPTKDM4E
SCHEMBL19961754 0.88 CA1 (0.46) CA1CA2AHRMAPTKDM4E
SCHEMBL29392768 0.85 CA1 (0.53) CA1CA2AHRMAPTKDM4E
SCHEMBL16067510 0.85 CA1 (0.53) CA1CA2AHRMAPTKDM4E
SCHEMBL10122756 0.85 CA1 (0.53) CA1CA2AHRMAPTKDM4E
SCHEMBL30530479 0.85 CA1 (0.53) CA1CA2AHRMAPTKDM4E
SCHEMBL2477077 0.85 CA1 (0.50) CA1CA2AHRMAPTKDM4E
SCHEMBL29395366 0.83 AHR (0.50) CA1CA2AHRMAPTKDM4E
SCHEMBL2128544 0.83 AHR (0.53) CA1CA2AHRMAPTKDM4E
SCHEMBL30955966 0.83 MAPT (0.53) CA1CA2AHRMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118339155-A Novel compound and organic light emitting device comprising the same 株式会社LG化学 2024-07-12 CN disclosed
WO-2024043698-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-02-29 WO disclosed
WO-2021029598-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-02-18 WO disclosed