SCHEMBL28937486

SCHEMBL28937486

CC1(C)OB(c2c[c]cc(OC(F)F)c2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

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
ESR2 Q92731 1/20 0.31
AAK1 Q2M2I8 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
SCHEMBL28416937 0.82 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL16291348 0.80 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL26631296 0.80 LPL (0.36) LPLLIPGCA1CA2CA9
SCHEMBL29427144 0.80 LPL (0.36) LPLLIPGCA1CA2CA9
SCHEMBL30345372 0.79 CA1 (0.37) LPLLIPGCA1CA2CA9
SCHEMBL1494491 0.79 CA1 (0.37) LPLLIPGCA1CA2CA9
SCHEMBL16532525 0.79 LPL (0.35) LPLLIPGCA1CA2CA9
SCHEMBL29170643 0.79 LPL (0.35) LPLLIPGCA1CA2CA9
SCHEMBL251859 0.77 LIPG (0.44) LPLLIPGCA1CA2CA9
SCHEMBL28433868 0.76 LPL (0.38) 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-107207493-B Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-20 CN disclosed