SCHEMBL6561934

SCHEMBL6561934

CCOC(=O)CNC(=O)Cc1cc(C#CCNc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.33
PTPN11 Q06124 1/20 0.33
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
AVPR2 P30518 2/20 0.32
RAB9A P51151 3/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
ABL1 P00519 1/20 0.30
RIN1 Q13671 1/20 0.30
JAK1 P23458 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
NPC1 O15118 2/20 0.30
SMN1; SMN2 Q16637 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 0.94 ACACB (0.35) ACACBPTPN11ITGB3ITGA2BRAB9A
SCHEMBL6563912 0.89 ACACB (0.34) ACACBPTPN11ITGB3ITGA2BRAB9A
SCHEMBL7675013 0.88 ACACB (0.34) ACACBPTPN11ITGB3ITGA2BRAB9A
SCHEMBL6563778 0.88 F10 (0.36) ACACBLMNATP53ITGB3ITGA2B
SCHEMBL6565533 0.85 ACACB (0.45) ACACBPTPN11RAB9ACNR2DDB1
SCHEMBL6561810 0.83 HSD11B1 (0.40) ACACBPTPN11RAB9ACNR2DDB1
SCHEMBL6565336 0.82 ACACB (0.34) ACACBPTPN11RAB9ACNR2KDM4E
SCHEMBL6565339 0.82 HPGD (0.39) ACACBPTPN11LMNARAB9ACNR2
SCHEMBL6565371 0.82 KCNK3 (0.34) PTPN11ITGB3ITGA2BRAB9AKDM4E
SCHEMBL6563328 0.81 ACACB (0.36) ACACBPTPN11RAB9ACNR2DDB1

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