SCHEMBL25792185

SCHEMBL25792185

CC1(C)CC(C)(C)c2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc6cccnc56)cc4)n3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.41
RARG P13631 2/20 0.41
RXRA P19793 1/20 0.41
BACE1 P56817 1/20 0.39
RARA P10276 2/20 0.39
TOP1 P11387 7/20 0.39
FABP1 P07148 3/20 0.39
ENPP1 P22413 1/20 0.38
BRD4 O60885 1/20 0.37
MMP9 P14780 1/20 0.37
ATR Q13535 1/20 0.35
AVPR2 P30518 1/20 0.35
AVPR1A P37288 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
SCHEMBL25791930 0.93 RARB (0.49) RARBRARGRXRABACE1RARA
SCHEMBL25789927 0.92 RARB (0.50) RARBRARGRXRABACE1RARA
SCHEMBL25789943 0.91 RARB (0.50) RARBRARGRXRABACE1RARA
SCHEMBL25790101 0.88 RARB (0.50) RARBRARGRXRABACE1RARA
SCHEMBL25793232 0.87 RARB (0.53) RARBRARGRXRABACE1RARA
SCHEMBL25790096 0.86 RARB (0.50) RARBRARGRXRABACE1RARA
SCHEMBL25793782 0.86 RARB (0.36) RARBRARGRXRABACE1RARA
SCHEMBL25790592 0.84 FABP1 (0.43) RARBRARGBACE1RARAFABP1
SCHEMBL25790394 0.84 RARB (0.48) RARBRARGRXRARARA
SCHEMBL12580436 0.83 MMP2 (0.48) TOP1FABP1ENPP1BRD4MMP9

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