SCHEMBL29469892

SCHEMBL29469892

CC(C)c1ccc(OCC2CC2(F)F)c(I)c1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 19/20 0.38
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35

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
SCHEMBL24313897 1.00 ACACB (0.38) ACACBBCHEACHE
SCHEMBL17811813 0.84 ACACB (0.39) ACACBBCHEACHE
SCHEMBL17811838 0.83 ACACB (0.41) ACACB
SCHEMBL13091261 0.82 ACACB (0.41) ACACBBCHEACHE
SCHEMBL20820450 0.81 FFAR4 (0.37) ACACB
SCHEMBL24314212 0.80 ACACB (0.39) ACACB
SCHEMBL24314292 0.80 ACACB (0.37) ACACB
SCHEMBL24313901 0.80 DHFR (0.44) ACACBBCHEACHE
SCHEMBL22587894 0.78 ALDH1A1 (0.41) ACACB
SCHEMBL24314213 0.78 ALDH1A1 (0.41) ACACB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229048-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER The Broad Institute, Inc. (US) 2023-08-23 — — EP disclosed
EP-4229045-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER The Broad Institute Inc. (US) 2023-08-23 — — EP disclosed
WO-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 — — WO disclosed
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 — — WO disclosed
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