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SCHEMBL25879252

SCHEMBL25879252

CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3c(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cccc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ NR2F2 P24468 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL25879345 0.90 ESR1 (0.32) ESR1ESR2
SCHEMBL25872648 0.90 ALDH1A1 (0.33) MAPT
SCHEMBL25872081 0.89 — —
SCHEMBL25873544 0.88 ALDH1A1 (0.35) MAPTNPC1RAB9A
SCHEMBL25847505 0.87 KDM4E (0.36) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25849782 0.87 KDM4E (0.36) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25871983 0.87 NPC1 (0.32) NPC1RAB9A
SCHEMBL25847569 0.86 KDM4E (0.33) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25872080 0.86 NPC1 (0.33) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25849777 0.85 KDM4E (0.34) MEN1KMT2AKDM4ELMNAMAPT

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-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 — — WO disclosed