SCHEMBL11048832

SCHEMBL11048832

Cc1c(Br)c(Br)n(CCC2C(=O)OC(C)(C)OC2=O)c1C(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.37
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 1/20 0.30
GLA P06280 1/20 0.30
NPSR1 Q6W5P4 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) MDM2TSHRALDH1A1SMN1; SMN2HTT
SCHEMBL11047283 0.90 BACE1 (0.32) MDM2MEN1KMT2AHTT
SCHEMBL11045314 0.83 MDM2 (0.33) MDM2MEN1TSHRKMT2AALDH1A1
SCHEMBL11006876 0.80 MDM2 (0.39) MDM2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11057525 0.76 PTGS2 (0.37) MDM2MEN1TSHRKMT2AALDH1A1
SCHEMBL9792244 0.76 MDM2 (0.35) MDM2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11048683 0.74 ABCB11 (0.36) TSHRKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL11064390 0.73 PTGS2 (0.37) MDM2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11045936 0.73 BACE1 (0.34) MEN1KMT2A
SCHEMBL8812100 0.73 RECQL (0.50) MEN1TSHRKMT2AALDH1A1SMN1; SMN2

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