SCHEMBL7675013

SCHEMBL7675013

CCOC(=O)COCc1cc(C#CCNc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.34
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
JAK1 P23458 1/20 0.32
RAB9A P51151 3/20 0.32
PTPN11 Q06124 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
NPC1 O15118 2/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CNR2 P34972 1/20 0.30
MAPT P10636 1/20 0.30
HSD11B1 P28845 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
SCHEMBL6565093 0.91 ACACB (0.35) ACACBITGB3ITGA2BJAK1RAB9A
SCHEMBL6563912 0.90 ACACB (0.34) ACACBITGB3ITGA2BJAK1RAB9A
SCHEMBL6561934 0.88 ACACB (0.33) ACACBITGB3ITGA2BJAK1RAB9A
SCHEMBL6563668 0.87 TPSAB1 (0.38) ACACBITGB3ITGA2BRAB9ANPC1
SCHEMBL6565533 0.86 ACACB (0.45) ACACBJAK1RAB9APTPN11DDB1
SCHEMBL6561810 0.83 HSD11B1 (0.40) ACACBRAB9APTPN11DDB1CRBN
SCHEMBL6565336 0.83 ACACB (0.34) ACACBJAK1RAB9APTPN11ABL1
SCHEMBL6565339 0.83 HPGD (0.39) ACACBRAB9APTPN11ABL1RIN1
SCHEMBL7676439 0.81 HSD11B1 (0.32) ITGB3ITGA2BPTPN11DDB1CRBN
SCHEMBL6563328 0.81 ACACB (0.36) ACACBJAK1RAB9APTPN11DDB1

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
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed