SCHEMBL25793232

SCHEMBL25793232

CC1(C)CCC(C)(C)c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6cccnc56)cc4)n3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.53
RARG P13631 10/20 0.53
RXRA P19793 2/20 0.53
RARA P10276 10/20 0.43
BACE1 P56817 1/20 0.40
BRD4 O60885 1/20 0.38
FABP1 P07148 2/20 0.37
TOP1 P11387 1/20 0.37
ENPP1 P22413 1/20 0.37
PDE4A P27815 1/20 0.36

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
SCHEMBL25789927 0.94 RARB (0.50) RARBRARGRXRARARABACE1
SCHEMBL25791930 0.93 RARB (0.49) RARBRARGRXRARARABACE1
SCHEMBL25789943 0.93 RARB (0.50) RARBRARGRXRARARABACE1
SCHEMBL25790101 0.90 RARB (0.50) RARBRARGRXRARARABACE1
SCHEMBL25790096 0.88 RARB (0.50) RARBRARGRXRARARABACE1
SCHEMBL25792185 0.87 RARB (0.41) RARBRARGRXRARARABACE1
SCHEMBL25792936 0.86 RARB (0.61) RARBRARGRXRARARA
SCHEMBL25793231 0.85 RARB (0.59) RARBRARGRXRARARA
SCHEMBL25789733 0.85 RARB (0.60) RARBRARGRXRARARA
SCHEMBL25789706 0.83 RARB (0.42) RARBRARGRXRARARATOP1

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-2023124205-A1 ORGANIC COMPOUNDS, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2023-07-06 WO disclosed