SCHEMBL29170643

SCHEMBL29170643

CC1(C)OB(c2cc(Cl)cc(OC(F)F)c2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 4/20 0.35
LIPG Q9Y5X9 4/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
AAK1 Q2M2I8 1/20 0.31
EGFR P00533 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL26631296 0.83 LPL (0.36) LPLLIPGCA1CA2CA9
SCHEMBL16291348 0.83 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL29427144 0.83 LPL (0.36) LPLLIPGCA1CA2CA9
SCHEMBL21117319 0.82 LPL (0.38) LPLLIPGCA1CA2CA9
SCHEMBL30345372 0.82 CA1 (0.37) LPLLIPGCA1CA2CA9
SCHEMBL1494491 0.82 CA1 (0.37) LPLLIPGCA1CA2CA9
SCHEMBL16532525 0.82 LPL (0.35) LPLLIPGCA1CA2CA9
SCHEMBL4242311 0.81 SNCA (0.39) LPLLIPGCA1CA2CA9
SCHEMBL28937486 0.79 LPL (0.35) LPLLIPGCA1CA2CA9
SCHEMBL19886494 0.79 NOTUM (0.37) LPLLIPGCA1CA2CA9

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-114096533-B Tri-ring compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-03-08 CN disclosed