SCHEMBL9568129

SCHEMBL9568129

CCOC(=O)OC(C)OC(=O)[C@H]1CC[C@H](NC(=O)c2cc(-c3ccc(C(=N)N)cc3)ccc2OC)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 8/20 0.42
PRSS1 P07477 6/20 0.42
PRSS2 P07478 6/20 0.42
PRSS3 P35030 6/20 0.42
PLG P00747 3/20 0.42
TLR7 Q9NYK1 4/20 0.39
TLR9 Q9NR96 3/20 0.39
F2 P00734 7/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 1/20 0.37
MAPK14 Q16539 1/20 0.37
PDE4B Q07343 1/20 0.37
TLR8 Q9NR97 2/20 0.37
CFTR P13569 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL9568126 1.00 ST14 (0.42) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL9568102 0.85 TSHR (0.39) ALDH1A1LMNA
SCHEMBL9568097 0.85 TSHR (0.39) ALDH1A1LMNA
SCHEMBL8410171 0.84 CFTR (0.48) ST14PRSS1PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL9568153 0.81 ST14 (0.40) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL8410563 0.81 KDM1A (0.48) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL9568196 0.80 F2 (0.44) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL9568200 0.80 F2 (0.44) ST14PRSS1PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL9568164 0.79 F2 (0.43) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL9568220 0.79 ST14 (0.40) ST14PRSS1PRSS2PRSS3PLG

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-0574808-A1 Amidine-biphenyl derivatives, process for their production & medical preparation containing them Dr. Karl Thomae GmbH (DE) 1993-12-22 EP disclosed