SCHEMBL6565336

SCHEMBL6565336

CCOC(=O)C(OC)c1cc(C#CCNc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.34
HPGD P15428 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
JAK1 P23458 1/20 0.32
PTPN11 Q06124 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR2 P34972 1/20 0.31
HSD11B1 P28845 1/20 0.31
ATM Q13315 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
SCHEMBL6563672 0.87 ACACB (0.38) ACACBHPGDL3MBTL1KDM4EKMT2A
SCHEMBL6565533 0.87 ACACB (0.45) ACACBJAK1PTPN11KMT2AALDH1A1
SCHEMBL6565339 0.85 HPGD (0.39) ACACBHPGDL3MBTL1PTPN11KMT2A
SCHEMBL6565093 0.85 ACACB (0.35) ACACBHPGDL3MBTL1JAK1PTPN11
SCHEMBL6561810 0.85 HSD11B1 (0.40) ACACBPTPN11ALDH1A1ABL1RIN1
SCHEMBL6563912 0.84 ACACB (0.34) ACACBHPGDL3MBTL1JAK1PTPN11
SCHEMBL7675013 0.83 ACACB (0.34) ACACBJAK1PTPN11ALDH1A1MAPT
SCHEMBL6563328 0.83 ACACB (0.36) ACACBJAK1PTPN11KMT2AALDH1A1
SCHEMBL6561934 0.82 ACACB (0.33) ACACBJAK1PTPN11KDM4EALDH1A1
SCHEMBL7674981 0.82 ABL1 (0.43) ACACBHPGDL3MBTL1PTPN11KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed