SCHEMBL21741598

SCHEMBL21741598

CC(C)(C)[Si](C)(C)OCCCCCCCc1ccc(CN)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HRH1 P35367 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SPHK2 Q9NRA0 1/20 0.33
▸ TNNC1 P63316 5/20 0.33
▸ SGPL1 O95470 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ GPR183 P32249 1/20 0.33
▸ CERS2 Q96G23 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ IDO1 P14902 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
SCHEMBL27834052 0.98 DUT (0.40) DUTHTR2AHRH1TDP1L3MBTL1
SCHEMBL11897958 0.84 DUT (0.39) DUTHTR2ATDP1L3MBTL1IDO1
SCHEMBL17760802 0.84 IDO1 (0.46) TDP1L3MBTL1IDO1
SCHEMBL1629726 0.84 IGF1R (0.41) DUTHRH1
SCHEMBL16307320 0.84 IDO1 (0.46) TDP1L3MBTL1IDO1
SCHEMBL6558611 0.84 IDO1 (0.46) TDP1L3MBTL1IDO1
SCHEMBL16784080 0.84 IDO1 (0.46) TDP1L3MBTL1IDO1
SCHEMBL23301487 0.83 DUT (0.34) DUTHTR2AHRH1L3MBTL1
SCHEMBL1627500 0.83 DUT (0.40) DUTTDP1TNNC1SGPL1S1PR4
SCHEMBL1627173 0.83 DUT (0.40) DUTSPHK2TNNC1SGPL1S1PR4

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-2020035049-A1 DEGRADATION AGENTS FOR CYCLIN DEPENDENT KINASE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 中国科学院上海药物研究所 2020-02-20 — — WO disclosed
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