SCHEMBL6689539

SCHEMBL6689539

CCOC(=O)C1C(=O)c2c(SCCNC(=O)OC(C)(C)C)ccc(F)c2N(CC)C1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
MALT1 Q9UDY8 1/20 0.31
CDK2 P24941 1/20 0.31
BRD4 O60885 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
SCHEMBL6692389 0.84 ALDH1A1 (0.35) MEN1ALDH1A1TSHRKMT2A
SCHEMBL4385104 0.76 BRD4 (0.38) IDO1MEN1ALDH1A1TSHRKMT2A
SCHEMBL20553071 0.63 IDO1 (0.38) IDO1MALT1
SCHEMBL22015112 0.62 ALDH1A1 (0.53) IDO1ALDH1A1TSHRKMT2AMALT1
SCHEMBL26942278 0.61 CA2 (0.41) IDO1ALDH1A1TSHRMALT1BRD4
SCHEMBL25470760 0.60 RAB9A (0.51) IDO1MEN1TSHRKMT2AMALT1
SCHEMBL15794406 0.60 IDO1 (0.43) IDO1MALT1BRD4
SCHEMBL17892724 0.60 ADORA3 (0.39) IDO1MEN1ALDH1A1TSHRKMT2A
SCHEMBL7528860 0.59 MTNR1A (0.62) IDO1MEN1ALDH1A1KMT2AMALT1
SCHEMBL26942246 0.59 MAPT (0.41) IDO1ALDH1A1TSHRMALT1BRD4

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-2004101584-A1 MACROLIDES SUBSTITUTED AT THE 3-POSITION HAVING ANTIMICROBIAL ACTIVITY GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed