SCHEMBL25792963

SCHEMBL25792963

CC1(C)CCC(C)(C)c2cc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccc5sc6ccccc6c5c4)n3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.43
RARA P10276 11/20 0.43
RARG P13631 12/20 0.42
RXRA P19793 4/20 0.42
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
GPR3 P46089 1/20 0.36
PTPN7 P35236 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN12 Q05209 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
HNF4A P41235 1/20 0.33
CYP1A2 P05177 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL25789941 0.94 RARB (0.47) RARBRARARARGRXRAABCB1
SCHEMBL25792962 0.91 RARB (0.38) RARBRARARARGRXRAABCB1
SCHEMBL25792964 0.90 RARB (0.41) RARBRARARARGRXRAABCB1
SCHEMBL25789942 0.87 RARB (0.47) RARBRARARARGRXRAABCB1
SCHEMBL25792954 0.86 RARB (0.52) RARBRARARARGRXRAABCB1
SCHEMBL25789532 0.84 RARB (0.44) RARBRARARARGRXRAABCB1
SCHEMBL25789912 0.84 RARB (0.41) RARBRARARARGRXRAABCB1
SCHEMBL25790494 0.83 RARG (0.43) RARBRARARARGRXRARXRB
SCHEMBL15501952 0.82 GPR3 (0.54) GPR3PTPN7DUSP3PTPN12PTPN22
SCHEMBL25789525 0.79 RARB (0.56) RARBRARARARGRXRAABCB1

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