SCHEMBL25867824

SCHEMBL25867824

CC1(C)c2cc(-c3cccc4c3C(C)(C)c3ccccc3O4)ccc2-c2c1ccc1ccccc21

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
ENPP3 O14638 1/20 0.30
ENPP1 P22413 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DNMT1 P26358 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
SCHEMBL25865961 0.90
SCHEMBL25847575 0.90
SCHEMBL25867817 0.90
SCHEMBL25867215 0.89 ENPP3 (0.33) ENPP3ENPP1MEN1ALDH1A1MAPT
SCHEMBL25867820 0.89 CHRNA1 (0.31)
SCHEMBL25867759 0.89 CHRNA1 (0.31)
SCHEMBL25864553 0.89 CHRNA1 (0.33) ENPP3ENPP1
SCHEMBL25868019 0.89 DNMT1 (0.30) DNMT1
SCHEMBL25867535 0.89 KDM4E (0.32) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL25867822 0.87 MEN1 (0.32) KDM4EMAPK1ATMENPP3ENPP1

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