SCHEMBL22880804

SCHEMBL22880804

CC1(C)C2=Cc3oc4ccccc4c3C=C1C=CC=C2

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
PGAM1 P18669 1/20 0.32
MAOA P21397 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
VKORC1 Q9BQB6 1/20 0.30

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
SCHEMBL24363330 0.80 MAOB (0.35) ALDH1A1HPGD
SCHEMBL24363331 0.80 MAPT (0.35) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL24363321 0.77
SCHEMBL24363322 0.76
SCHEMBL18711547 0.75 KDM4E (0.35) KDM4EALDH1A1GLACYP3A4MAPT
SCHEMBL18698083 0.69 KDM4E (0.36) KDM4EALDH1A1GLACYP3A4MAPT
SCHEMBL22537996 0.67 KDM4E (0.34) KDM4EALDH1A1GLACYP3A4MAPT
SCHEMBL21494511 0.66 KDM4E (0.40) KDM4EALDH1A1GLACYP3A4MAPT
SCHEMBL22880805 0.65 GPR3 (0.36) ALDH1A1
SCHEMBL23628355 0.65 HSD17B10 (0.32) KDM4EALDH1A1GLACYP3A4MAPT

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
WO-2023287228-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2023-01-19 WO disclosed
WO-2022086171-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-04-28 WO disclosed
WO-2021006652-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-01-14 WO disclosed