SCHEMBL8734295

SCHEMBL8734295

COC(C[C@@H]1CCCN1CC(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21)(OC)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.39
MDM4 O15151 2/20 0.37
TP53 P04637 2/20 0.37
FABP5 Q01469 2/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA7 P36544 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FABP7 O15540 1/20 0.32
OPRD1 P41143 1/20 0.32
PIN1 Q13526 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 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
SCHEMBL6854308 0.85 MDM4 (0.37) CHRM3MDM4TP53FABP5CHRNB2
SCHEMBL8732445 0.84 FABP5 (0.37) CHRM3MDM4TP53FABP5CHRNB2
SCHEMBL6849920 0.81 CHRM3 (0.46) CHRM3MDM4TP53FABP5CHRNB2
SCHEMBL8729229 0.72 LMNA (0.39) MDM4TP53FABP5CHRNB2CHRNA4
SCHEMBL6853795 0.72 LMNA (0.39) MDM4TP53FABP5CHRNB2CHRNA4
SCHEMBL8729183 0.72 LMNA (0.39) MDM4TP53FABP5CHRNB2CHRNA4
SCHEMBL8609022 0.71 FABP5 (0.43) MDM4TP53FABP5MEN1KMT2A
SCHEMBL6858012 0.69 PIN1 (0.36) CHRM3MDM4TP53FABP5MEN1
SCHEMBL10118380 0.68 SLC6A11 (0.48) CHRM3TP53FABP5MEN1KMT2A
SCHEMBL6858060 0.67 FABP5 (0.37) MDM4TP53FABP5KMT2AFABP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed