SCHEMBL8958409

SCHEMBL8958409

CC(C)(C)OC(=O)c1ccccc1-c1ccc(CNC(=O)C2(NC(=O)OCc3ccccc3)CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.48
CTSS P25774 5/20 0.46
CTSL P07711 4/20 0.46
CTSB P07858 3/20 0.46
ACHE P22303 1/20 0.41
KCNA5 P22460 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
TLR2 O60603 2/20 0.37
CTSK P43235 4/20 0.37
SYK P43405 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
MTTP P55157 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
SCHEMBL8958363 0.81 BDKRB1 (0.46) BDKRB1ACHECHRNB2CHRNB4CHRNA3
SCHEMBL8958412 0.80 ACHE (0.41) BDKRB1ACHECHRNB2CHRNB4CHRNA3
SCHEMBL5782255 0.80 BDKRB1 (0.66) BDKRB1ACHE
SCHEMBL8958523 0.79 BDKRB1 (0.49) BDKRB1CTSSCTSLCTSBACHE
SCHEMBL24736349 0.74 CTSS (0.57) CTSSCTSLCTSBTLR2CTSK
SCHEMBL8958229 0.74 ACHE (0.51) BDKRB1ACHECHRNB2CHRNB4CHRNA3
SCHEMBL5347271 0.74 CTSS (0.57) CTSSCTSLCTSBTLR2CTSK
SCHEMBL14273893 0.73 HDAC1 (0.51) BDKRB1CTSSCTSLCTSBCTSK
SCHEMBL15585054 0.72 SYK (0.48) CTSSCTSLCTSBCTSKSYK
SCHEMBL8234255 0.72 CTSS (0.53) CTSSCTSLCTSBCTSKMEN1

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-5559233-A 3-/P-PHENYLBENZYL/IMIDAZOLONES AND PYRIMIDONES SANOFI (FR) 1996-09-24 US disclosed
US-5352788-A Angiotensin antagonist ELF SANOFI (FR) 1994-10-04 US disclosed