SCHEMBL27506460

SCHEMBL27506460

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ INPP5D Q92835 1/20 0.60
▸ CDC25A P30304 8/20 0.58
▸ CDC25B P30305 5/20 0.58
▸ SRD5A1 P18405 4/20 0.57
▸ SRD5A2 P31213 3/20 0.57
▸ NPC1L1 Q9UHC9 3/20 0.57
▸ FNTA P49354 2/20 0.54
▸ FNTB P49356 2/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ POLA1 P09884 1/20 0.53

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
SCHEMBL27506889 0.86 OSBP (0.66) NPC1L1MEN1LMNAKMT2A
SCHEMBL27506459 0.84 CDC25A (0.52) CYP2D6CYP2C19INPP5DCDC25ACDC25B
SCHEMBL27505307 0.83 CDC25A (0.57) CYP2D6CYP2C19INPP5DCDC25ACDC25B
SCHEMBL12987816 0.83 CYP2D6 (0.65) CYP2D6CYP2C19INPP5DCDC25ACDC25B
SCHEMBL6687443 0.83 CYP2D6 (0.59) CYP2D6CYP2C19INPP5DCDC25ACDC25B
SCHEMBL27568855 0.83 CYP2D6 (0.59) CYP2D6CYP2C19INPP5DCDC25ACDC25B
SCHEMBL4739596 0.83 CYP2D6 (0.71) CYP2D6CYP2C19INPP5DCDC25ACDC25B
SCHEMBL135273 0.83 CYP2D6 (0.71) CYP2D6CYP2C19INPP5DCDC25ACDC25B
SCHEMBL14676689 0.83 CYP2D6 (0.71) CYP2D6CYP2C19INPP5DCDC25ACDC25B
SCHEMBL7629815 0.83 CDC25A (0.62) CYP2D6CYP2C19INPP5DCDC25ACDC25B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103571500-A Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element CHI MEI CORP 2014-02-12 — — CN disclosed
CN-101538405-B Liquid crystal orientating agent and liquid crystal display element JSR CORP 2012-11-21 — — CN disclosed
CN-101539688-B Liquid crystal alignment agent and liquid crystal display element JSR CORP 2012-07-18 — — CN disclosed
CN-1807551-A Liquid crystal oriental agent and liquid crystal displaying componnet JSR KK (JP) 2006-07-26 — — CN disclosed
CN-1242017-A Meiosis regulating compounds NOVO NORDISK AS (DK) 2000-01-19 — — CN disclosed
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