SCHEMBL11045936

SCHEMBL11045936

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

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.34
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL11048683 0.92 ABCB11 (0.36) BACE1KDM4EKMT2A
SCHEMBL11045314 0.90 MDM2 (0.33) BACE1KDM4EMEN1KMT2A
SCHEMBL11047283 0.84 BACE1 (0.32) BACE1MEN1KMT2A
SCHEMBL11048502 0.78 ABCB11 (0.35) BACE1KDM4E
SCHEMBL11048832 0.73 MDM2 (0.37) MEN1KMT2A
SCHEMBL9792193 0.72 HTT (0.41) BACE1KMT2A
SCHEMBL9792300 0.71 HTT (0.40) BACE1KMT2A
SCHEMBL9792269 0.70 HTT (0.40) BACE1KMT2A
SCHEMBL11060460 0.70 HTT (0.38) BACE1KMT2A
SCHEMBL9792244 0.70 MDM2 (0.35) BACE1MEN1KMT2A

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