SCHEMBL28161748

SCHEMBL28161748

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.44
▸ ATP1A1 P05023 1/20 0.36
▸ ATP1B1 P05026 1/20 0.36
▸ ATP1A3 P13637 1/20 0.36
▸ ATP1B2 P14415 1/20 0.36
▸ ATP1A2 P50993 1/20 0.36
▸ ATP1B3 P54709 1/20 0.36
▸ FXYD2 P54710 1/20 0.36
▸ ATP1A4 Q13733 1/20 0.36
▸ CDC25A P30304 5/20 0.35
▸ CDC25B P30305 5/20 0.35
▸ EBP Q15125 3/20 0.34
▸ UGT2B7 P16662 4/20 0.33
▸ EP300 Q09472 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ ACLY P53396 1/20 0.31
▸ ACACA Q13085 1/20 0.31
▸ NPC1L1 Q9UHC9 1/20 0.31
▸ POLA1 P09884 1/20 0.31
▸ TOP2A P11388 1/20 0.31

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
SCHEMBL29527487 0.85 CDC25A (0.51) PTPN1CDC25ACDC25BEBPNPC1L1
SCHEMBL29398347 0.85 CDC25A (0.51) PTPN1CDC25ACDC25BEBPNPC1L1
SCHEMBL29410405 0.85 CDC25A (0.51) PTPN1CDC25ACDC25BEBPNPC1L1
SCHEMBL332666 0.85 CDC25A (0.51) PTPN1CDC25ACDC25BEBPNPC1L1
SCHEMBL20196907 0.85 PTPN1 (0.40) PTPN1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL15233192 0.82 SLC10A1 (0.42) PTPN1ACLYACACATOP2A
SCHEMBL16488039 0.82 SLC10A1 (0.42) PTPN1ACLYACACATOP2A
SCHEMBL14116734 0.73 CDC25A (0.54) PTPN1CDC25ACDC25BEBPNPC1L1
SCHEMBL14034589 0.73 CDC25A (0.54) PTPN1CDC25ACDC25BEBPNPC1L1
SCHEMBL29501285 0.72 PTPN1 (0.58) PTPN1ATP1A1ATP1B1ATP1A3ATP1B2

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-106852496-A Method for inducing synthesis of triterpenes contained in mushroom 黄建钧 2017-06-16 — — CN disclosed
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