SCHEMBL4227044

SCHEMBL4227044

CC(C)C[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)N1CCC2[C@H]1C(=O)CN2S(=O)(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.57
CTSS P25774 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
CCR1 P32246 1/20 0.41
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 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
SCHEMBL5942387 1.00 CTSK (0.57) CTSKCTSSSMN1; SMN2MEN1ALDH1A1
SCHEMBL5942389 1.00 CTSK (0.57) CTSKCTSSSMN1; SMN2MEN1ALDH1A1
SCHEMBL4039368 1.00 CTSK (0.57) CTSKCTSSSMN1; SMN2MEN1ALDH1A1
SCHEMBL4045440 0.94 CTSK (0.59) CTSKCTSSMEN1ALDH1A1KMT2A
SCHEMBL4040000 0.92 CTSK (0.53) CTSKCTSSSMN1; SMN2CTSLADRB2
SCHEMBL4037203 0.92 CTSK (0.63) CTSKCTSSCTSL
SCHEMBL4040792 0.92 CTSK (0.51) CTSKCTSSSMN1; SMN2MEN1ALDH1A1
SCHEMBL4041438 0.92 CTSK (0.56) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4041377 0.91 CTSK (0.51) CTSKCTSSSMN1; SMN2CTSL
SCHEMBL4040307 0.91 CTSK (0.52) CTSKCTSSSMN1; SMN2MEN1ALDH1A1

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
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP claimed