SCHEMBL6817653

SCHEMBL6817653

O=C1CC[C@@](Cc2c(Cl)cccc2Cl)(NC(=O)OCc2ccccc2)C(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
CASP1 P29466 1/20 0.40
P2RX7 Q99572 1/20 0.38
CTSS P25774 5/20 0.38
CTSL P07711 4/20 0.38
CTSB P07858 3/20 0.38
CASP3 P42574 1/20 0.38
PPIA P62937 1/20 0.37
CTSK P43235 4/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
PTPN7 P35236 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
HTT P42858 1/20 0.37
DUSP3 P51452 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1399077 0.82 DDB1 (0.57) DDB1CRBNCTSSCTSLCTSB
SCHEMBL6813890 0.82 DDB1 (0.57) DDB1CRBNCTSSCTSLCTSB
SCHEMBL6821686 0.82 DDB1 (0.52) DDB1CRBNP2RX7CTSSCTSL
SCHEMBL1399003 0.81 DDB1 (0.55) DDB1CRBNCTSSCTSLCTSB
SCHEMBL6818881 0.78 DDB1 (0.52) DDB1CRBNCTSSCTSLCTSB
SCHEMBL1398960 0.75 CRBN (0.60) DDB1CRBNCASP1CTSSCTSL
SCHEMBL12355229 0.73 DDB1 (0.47) DDB1CRBNCTSSCTSLCTSB
SCHEMBL8073977 0.70 CTSS (0.46) DDB1CRBNCTSSCTSLCTSB
SCHEMBL12041931 0.70 DDB1 (0.58) DDB1CRBNLMNAALDH1A1HTT
SCHEMBL26833122 0.69 DDB1 (0.44) DDB1CRBNCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004022536-A1 NEW HETEROCYCLIC AMIDE COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (US) 2004-03-18 WO disclosed