SCHEMBL9256151

SCHEMBL9256151

CCCC(=O)OCOC(=O)NC(=N)c1ccc(-c2cn(C)c(-c3ccc(CCC(=O)OC)cc3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
TLR8 Q9NR97 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
SYK P43405 2/20 0.32
NAMPT P43490 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AVPR1B P47901 2/20 0.32
KLKB1 P03952 1/20 0.32

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
SCHEMBL9257842 0.92 HRH3 (0.34) HPGDTSHRHSD17B10HRH3NPC1
SCHEMBL9257104 0.90 HRH3 (0.39) HPGDTSHRHSD17B10HRH3TLR8
SCHEMBL9254248 0.86 CASP1 (0.35) HPGDTSHRHSD17B10HRH3NPC1
SCHEMBL9253893 0.85 F10 (0.40) TSHRHRH3TLR8CYP4F2CYP4A11
SCHEMBL9253096 0.83 TDP1 (0.40) HPGDNAMPTMAPT
SCHEMBL9255728 0.83 KDM4E (0.37) HPGDNAMPTL3MBTL1
SCHEMBL9250731 0.83 HRH3 (0.34) HPGDTSHRHSD17B10HRH3NPC1
SCHEMBL9255100 0.81 KDM4E (0.36) HPGDNAMPTL3MBTL1
SCHEMBL9257434 0.80 NPC1 (0.42) HPGDTSHRHSD17B10HRH3TLR8
SCHEMBL9259034 0.80 NPC1 (0.42) HPGDTSHRHSD17B10HRH3TLR8

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
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed