SCHEMBL20844253

SCHEMBL20844253

CC(C)CC(CN)C(=O)OCCCCOc1ccc(C(=O)Oc2ccc(B(O)O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.42
▸ ACR P10323 1/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NFKB1 P19838 3/20 0.41
▸ NFKB2 Q00653 3/20 0.41
▸ RELA Q04206 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 6/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ RARB P10826 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL21169020 0.85 NPC1 (0.43) PRSS1ACRNPC1LMNACYP1A2
SCHEMBL21169025 0.84 LMNA (0.48) PRSS1ACRNPC1LMNACYP1A2
SCHEMBL25988963 0.81 LMNA (0.48) PRSS1ACRNPC1LMNACYP1A2
SCHEMBL25988964 0.81 LMNA (0.48) PRSS1ACRNPC1LMNACYP1A2
SCHEMBL20625016 0.80 NPC1 (0.50) PRSS1ACRNPC1LMNACYP1A2
SCHEMBL21169018 0.77 LMNA (0.47) PRSS1ACRNPC1LMNACYP1A2
SCHEMBL14750339 0.76 NPC1 (0.67) PRSS1ACRNPC1LMNACYP1A2
SCHEMBL19295706 0.76 NPC1 (0.67) PRSS1ACRNPC1LMNACYP1A2
SCHEMBL14750345 0.76 NPC1 (0.67) PRSS1ACRNPC1LMNACYP1A2
SCHEMBL19295729 0.76 NPC1 (0.67) PRSS1ACRNPC1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10920012-B2 Copolymer and composition FUJIFILM CORPORATION (JP) 2021-02-16 — — US disclosed
US-20190092899-A1 COPOLYMER AND COMPOSITION FUJIFILM CORPORATION (JP) 2019-03-28 — — US disclosed
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