SCHEMBL25850630

SCHEMBL25850630

CC1(C)c2ccccc2Oc2cccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)c21

nearest known ligand 0.31

Predicted protein targets (top 5)

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

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
SCHEMBL25867760 0.93 CHRNA1 (0.32)
SCHEMBL25867822 0.92 MEN1 (0.32) PDK2ENPP3ENPP1MEN1KMT2A
SCHEMBL25872290 0.91 PDK2 (0.31) PDK2ENPP3ENPP1MEN1KMT2A
SCHEMBL25850794 0.91 PDK2 (0.33) PDK2ENPP3ENPP1
SCHEMBL25850632 0.90 PDK2 (0.32) PDK2ENPP3ENPP1MEN1KMT2A
SCHEMBL25850633 0.89 PDK2 (0.31) PDK2ENPP3ENPP1MEN1KMT2A
SCHEMBL25872807 0.89 CA12 (0.32) PDK2ENPP3ENPP1MEN1KMT2A
SCHEMBL25867949 0.89 PDK2 (0.31) PDK2ENPP3ENPP1MEN1KMT2A
SCHEMBL25850799 0.88 MEN1 (0.34) MEN1KMT2A
SCHEMBL25852017 0.88 CTSD (0.31) ENPP3ENPP1MEN1KMT2A

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