SCHEMBL25789529

SCHEMBL25789529

CC1(C)CCC(C)(C)c2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5c4oc4ccccc45)n3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.46
RARG P13631 9/20 0.46
RXRA P19793 3/20 0.46
RARA P10276 9/20 0.44
ALOX5 P09917 2/20 0.40
TSHR P16473 2/20 0.37
GGPS1 O95749 1/20 0.36
MAPT P10636 2/20 0.35
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL25789936 0.98 RARB (0.46) RARBRARGRXRARARAALOX5
SCHEMBL25789918 0.97 RARB (0.46) RARBRARGRXRARARAALOX5
SCHEMBL25792951 0.94 RARB (0.42) RARBRARGRXRARARAALOX5
SCHEMBL25790395 0.94 ALOX5 (0.40) RARBRARGRXRARARAALOX5
SCHEMBL25790508 0.92 ALOX5 (0.40) RARBRARGRXRARARAALOX5
SCHEMBL25792949 0.89 RARA (0.51) RARBRARGRXRARARAABCB1
SCHEMBL25789740 0.89 RARG (0.44) RARBRARGRXRARARAALOX5
SCHEMBL25792945 0.87 RARA (0.46) RARBRARGRXRARARATSHR
SCHEMBL25793795 0.86 RARB (0.44) RARBRARGRXRARARAABCB1
SCHEMBL25792940 0.86 RARA (0.44) RARBRARGRXRARARATSHR

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