SCHEMBL28926182

SCHEMBL28926182

CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3CC[C@H]4C(C)(C)CCC([O])[C@]4(C)C3CC[C@]12C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EBP Q15125 7/20 0.48
▸ NPC1L1 Q9UHC9 3/20 0.41
▸ CDC25A P30304 6/20 0.40
▸ CDC25B P30305 5/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ INPP5D Q92835 2/20 0.39

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
SCHEMBL29275435 0.84 EBP (0.47) EBPNPC1L1CDC25ACDC25BMEN1
SCHEMBL29410405 0.82 CDC25A (0.51) EBPNPC1L1CDC25ACDC25BMEN1
SCHEMBL29527487 0.82 CDC25A (0.51) EBPNPC1L1CDC25ACDC25BMEN1
SCHEMBL332666 0.82 CDC25A (0.51) EBPNPC1L1CDC25ACDC25BMEN1
SCHEMBL29398347 0.82 CDC25A (0.51) EBPNPC1L1CDC25ACDC25BMEN1
SCHEMBL17583234 0.79 EBP (0.43) EBPNPC1L1CDC25ACDC25BMEN1
SCHEMBL3229562 0.76 EBP (0.48) EBPNPC1L1CDC25ACDC25BUSP2
SCHEMBL1470720 0.75 EBP (0.48) EBPNPC1L1CDC25ACDC25BMEN1
SCHEMBL1470722 0.75 EBP (0.48) EBPNPC1L1CDC25ACDC25BMEN1
SCHEMBL1470719 0.75 EBP (0.48) EBPNPC1L1CDC25ACDC25BMEN1

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
CN-115537211-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element and method for producing same, polymer and diamine JSR株式会社 2022-12-30 — — CN disclosed
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