SCHEMBL25906756

SCHEMBL25906756

c1cc(C23CC4CC(C2)C(C4)C3)ccc1Nc1ccc(C23CC4CC5CC(C2)C54C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PGR P06401 4/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ GRIN3A Q8TCU5 1/20 0.32

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
SCHEMBL22815335 0.82 ALDH1A1 (0.42) EPHX2NPC1LMNAMAPTALDH1A1
SCHEMBL27382424 0.77 EPHX2 (0.45) EPHX2NPC1LMNAMAPTALDH1A1
SCHEMBL25906729 0.73 EPHX2 (0.42) EPHX2NPC1LMNAMAPTALDH1A1
SCHEMBL25906755 0.72 EPHX2 (0.41) EPHX2NPC1LMNAMAPTALDH1A1
SCHEMBL23195209 0.72 ALDH1A1 (0.39) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL22815320 0.72 EPHX2 (0.57) EPHX2NPC1LMNAMAPTALDH1A1
SCHEMBL25720558 0.72 MEN1 (0.46) EPHX2LMNAALDH1A1SMN1; SMN2PGR
SCHEMBL23205969 0.71 PDK2 (0.38) —
SCHEMBL25911451 0.71 EPHX2 (0.43) EPHX2NPC1LMNAMAPTALDH1A1
SCHEMBL25568540 0.71 EPHX2 (0.38) EPHX2NPC1LMNAMAPTALDH1A1

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
WO-2023140529-A1 ORGANIC ELECTRIC ELEMENT USING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-07-27 — — WO disclosed
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