SCHEMBL30633335

SCHEMBL30633335

CC1(C)OB(c2cc(Br)c(F)c(C#N)c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPL P06858 4/20 0.38
LIPG Q9Y5X9 4/20 0.38
ESR2 Q92731 1/20 0.34
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ROCK1 Q13464 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
SCHEMBL26686295 1.00 LPL (0.38) LPLLIPGESR2CA1CA2
SCHEMBL22160141 0.89 LPL (0.43) LPLLIPGESR2CA1CA2
SCHEMBL18339421 0.88 LPL (0.40) LPLLIPGESR2ROCK1
SCHEMBL14956320 0.84 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL29813004 0.83 ESR2 (0.35) LPLLIPGESR2
SCHEMBL26967133 0.83 ESR2 (0.35) LPLLIPGESR2
SCHEMBL9948466 0.82 LPL (0.38) LPLLIPGESR2
SCHEMBL9947925 0.81 LPL (0.37) LPLLIPGESR2CA1CA2
SCHEMBL22802575 0.79 ESR2 (0.41) LPLLIPGESR2CA1CA2
SCHEMBL24347985 0.79 LPL (0.38) LPLLIPGESR2CA1CA2

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
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 EP disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 WO disclosed