SCHEMBL6813890

SCHEMBL6813890

CC[C@]1(NC(=O)OCc2ccccc2)CCC(=O)NC1=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.57
CRBN Q96SW2 1/20 0.57
CTSS P25774 5/20 0.44
CTSL P07711 4/20 0.44
CTSB P07858 3/20 0.44
CTSK P43235 4/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PPIA P62937 1/20 0.40
NAAA Q02083 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CASP3 P42574 1/20 0.39

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 1.00 DDB1 (0.57) DDB1CRBNCTSSCTSLCTSB
SCHEMBL1399003 0.91 DDB1 (0.55) DDB1CRBNCTSSCTSLCTSB
SCHEMBL12355229 0.88 DDB1 (0.47) DDB1CRBNCTSSCTSLCTSB
SCHEMBL6818881 0.88 DDB1 (0.52) DDB1CRBNCTSSCTSLCTSB
SCHEMBL6821686 0.83 DDB1 (0.52) DDB1CRBNCTSSCTSLCTSB
SCHEMBL1398960 0.83 CRBN (0.60) DDB1CRBNCTSSCTSLCTSB
SCHEMBL6817653 0.82 DDB1 (0.51) DDB1CRBNCTSSCTSLCTSB
SCHEMBL16219332 0.75 CTSL (0.52) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL12041931 0.75 DDB1 (0.58) DDB1CRBNLMNASMN1; SMN2ALDH1A1
SCHEMBL26833122 0.73 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