SCHEMBL31430344

SCHEMBL31430344

CC1(C)OB(c2ccc3c(c2)OC2(CC2)C(=O)N3)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 5/20 0.36
▸ LIPG Q9Y5X9 5/20 0.36
▸ PRMT5 O14744 2/20 0.35
▸ WDR77 Q9BQA1 2/20 0.35
▸ BACE1 P56817 3/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ CA5B Q9Y2D0 1/20 0.34
▸ BRD4 O60885 5/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ CSF1R P07333 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
SCHEMBL16427200 0.89 LPL (0.36) LPLLIPGPRMT5WDR77BACE1
SCHEMBL21493541 0.85 BRD4 (0.45) LPLLIPGPRMT5WDR77BRD4
SCHEMBL31430356 0.76 — —
SCHEMBL31430345 0.76 LPL (0.33) LPLLIPG
SCHEMBL28635691 0.75 RAF1 (0.40) —
SCHEMBL24427221 0.75 HTT (0.45) CA1CA2CA9CA12CA4
SCHEMBL4291778 0.75 PGR (0.44) LPLLIPGPRMT5WDR77BACE1
SCHEMBL31430278 0.75 PGR (0.44) LPLLIPGPRMT5WDR77BACE1
SCHEMBL23561617 0.75 PPIB (0.39) LPLLIPGPRMT5WDR77BACE1
SCHEMBL421621 0.75 CYP11B1 (0.47) PDE3BPDE3A

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
WO-2025092818-A1 PYRIDINE DERIVATIVE AND USE THEREOF IN MEDICINE 康百达(四川)生物医药科技有限公司 2025-05-08 — — WO disclosed
CN-119462695-A Pyridine derivative and application thereof 康百达(四川)生物医药科技有限公司 2025-02-18 — — CN disclosed
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