SCHEMBL29508571

SCHEMBL29508571

CC1(C)OB(c2c(O)cc(Cl)cc2F)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
EGFR P00533 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SPR P35270 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL22655066 1.00 LPL (0.34) LPLLIPGEGFRALDH1A1HPGD
SCHEMBL29276139 0.88 LPL (0.39) LPLLIPGEGFR
SCHEMBL29508529 0.83 TSHR (0.41) LPLLIPGALDH1A1HPGDTSHR
SCHEMBL22654957 0.83 TSHR (0.41) LPLLIPGALDH1A1HPGDTSHR
SCHEMBL28569437 0.83 LPL (0.40) LPLLIPGCA1CA2CA9
SCHEMBL29276197 0.81 LPL (0.35) LPLLIPGEGFR
SCHEMBL30916355 0.81 HIF1A (0.32) ALDH1A1HPGDTSHRHSD17B10
SCHEMBL31042939 0.80 LPL (0.34) LPLLIPGEGFRALDH1A1TSHR
SCHEMBL22655000 0.80 CXCR2 (0.31)
SCHEMBL29508580 0.80 CXCR2 (0.31)

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
EP-3969441-A1 NLRP3 INFLAMMASOME INHIBITORS Novartis AG (CH) 2022-03-23 EP disclosed