SCHEMBL11045314

SCHEMBL11045314

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
MCL1 Q07820 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
ABCC9 O60706 1/20 0.31
BACE1 P56817 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HPGD P15428 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) KMT2ATSHRNPSR1HTTKDM4E
SCHEMBL11045936 0.90 BACE1 (0.34) MEN1KMT2AKDM4EBACE1
SCHEMBL11048832 0.83 MDM2 (0.37) MDM2MEN1KMT2ATSHRNPSR1
SCHEMBL9792244 0.80 MDM2 (0.35) MDM2MEN1KMT2ANPSR1HTT
SCHEMBL11048502 0.77 ABCB11 (0.35) MDM2TSHRNPSR1HTTKDM4E
SCHEMBL11057525 0.76 PTGS2 (0.37) MDM2MEN1KMT2ATSHRMCL1
SCHEMBL11006876 0.73 MDM2 (0.39) MDM2MEN1KMT2ANPSR1HTT
SCHEMBL11064390 0.73 PTGS2 (0.37) MDM2MEN1KMT2ANPSR1HTT
SCHEMBL11047283 0.73 BACE1 (0.32) MDM2MEN1KMT2AHTTLMNA
SCHEMBL8812100 0.73 RECQL (0.50) MEN1KMT2ATSHRLMNAALDH1A1

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