SCHEMBL11047283

SCHEMBL11047283

Cc1c(Br)c(Br)n(CCC2C(=O)OC(C)(C)OC2=O)c1C(=O)c1ccc(F)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.32
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MDM2 Q00987 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
SCHEMBL11048502 0.90 ABCB11 (0.35) BACE1LMNAMAPTHTTMDM2
SCHEMBL11048832 0.90 MDM2 (0.37) HTTMEN1KMT2AMDM2
SCHEMBL11045936 0.84 BACE1 (0.34) BACE1MEN1KMT2A
SCHEMBL11048683 0.75 ABCB11 (0.36) BACE1LMNAMAPTHTTKMT2A
SCHEMBL11045314 0.73 MDM2 (0.33) BACE1LMNAMAPTHTTMEN1
SCHEMBL9792269 0.70 HTT (0.40) BACE1LMNAHTTKMT2AMDM2
SCHEMBL11006876 0.69 MDM2 (0.39) LMNAMAPTHTTMEN1KMT2A
SCHEMBL9792193 0.68 HTT (0.41) BACE1LMNAMAPTHTTKMT2A
SCHEMBL11060460 0.66 HTT (0.38) BACE1LMNAMAPTHTTKMT2A
SCHEMBL9792244 0.65 MDM2 (0.35) BACE1LMNAMAPTHTTMEN1

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
US-4456759-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTICOAGULANTS, AND MUSCLE RELAXANTS SYNTEX (U.S.A.) INC. (US) 1984-06-26 US disclosed
US-4347185-A DECARBOXYLATION OF THE 1,1-DICARBOXYLATES SYNTEX (U.S.A.) INC. (US) 1982-08-31 US disclosed