SCHEMBL25792945

SCHEMBL25792945

CC1(C)CCC(C)(C)c2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARA P10276 13/20 0.46
RARB P10826 12/20 0.46
RARG P13631 12/20 0.46
RXRA P19793 3/20 0.43
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
TSHR P16473 1/20 0.36
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
AHR P35869 1/20 0.35

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
SCHEMBL25792940 0.99 RARA (0.44) RARARARBRARGRXRAABCB1
SCHEMBL25789711 0.95 RARA (0.44) RARARARBRARGRXRAABCB1
SCHEMBL25790390 0.92 RARB (0.40) RARARARBRARGRXRATSHR
SCHEMBL25790513 0.90 RARB (0.44) RARARARBRARGRXRATSHR
SCHEMBL25789739 0.88 RXRA (0.45) RARARARBRARGRXRAMMP12
SCHEMBL25792961 0.88 RARA (0.44) RARARARBRARGRXRAABCB1
SCHEMBL25789529 0.87 RARB (0.46) RARARARBRARGRXRAABCB1
SCHEMBL25789527 0.86 RARB (0.58) RARARARBRARGRXRAABCB1
SCHEMBL25789911 0.86 RARB (0.58) RARARARBRARGRXRAABCB1
SCHEMBL25789525 0.84 RARB (0.56) RARARARBRARGRXRAABCB1

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