SCHEMBL25877228

SCHEMBL25877228

CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(-c3cc4c(c5ccccc35)Oc3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)cccc21

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PLA2G1B P04054 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ATG4B Q9Y4P1 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
SCHEMBL20614686 0.90 ALDH1A1 (0.36) MEN1POLBGAAKMT2AGPR84
SCHEMBL25877315 0.90 GPR84 (0.35) MEN1POLBGAAKMT2AGPR84
SCHEMBL25876096 0.89 DNMT1 (0.31) GPR84
SCHEMBL25878003 0.86 GPR84 (0.38) MEN1POLBGAAKMT2AGPR84
SCHEMBL25873281 0.85 NPC1 (0.32) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL25876987 0.85 MAPK1 (0.30) ALDH1A1L3MBTL1
SCHEMBL25876734 0.84 DRD1 (0.30)
SCHEMBL25876105 0.80 PDK2 (0.31) GPR84ALDH1A1RAB9A
SCHEMBL25874429 0.80 GPR84 (0.32) GPR84
SCHEMBL25851122 0.78 DNMT1 (0.31) GPR84

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