SCHEMBL25850633

SCHEMBL25850633

CC1(C)c2ccccc2Oc2cc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)ccc21

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.31
ENPP3 O14638 1/20 0.30
ENPP1 P22413 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL25867949 1.00 PDK2 (0.31) PDK2ENPP3ENPP1MEN1KMT2A
SCHEMBL25850392 0.96 MEN1 (0.30) MEN1KMT2ACA12CA1CA2
SCHEMBL25850632 0.94 PDK2 (0.32) PDK2ENPP3ENPP1MEN1KMT2A
SCHEMBL25872807 0.93 CA12 (0.32) PDK2ENPP3ENPP1MEN1KMT2A
SCHEMBL25871493 0.92 PDK2 (0.33) PDK2ENPP3ENPP1CA12CA1
SCHEMBL25850391 0.92 PDK2 (0.31) PDK2ENPP3ENPP1
SCHEMBL25864078 0.92 PDK2 (0.31) PDK2
SCHEMBL25850641 0.92 PDK2 (0.31) PDK2
SCHEMBL25850798 0.91 CHRNA1 (0.31) MEN1KMT2A
SCHEMBL25872290 0.91 PDK2 (0.31) PDK2ENPP3ENPP1MEN1KMT2A

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