SCHEMBL8729145

SCHEMBL8729145

COC(OC)(OC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H]1CCCN1CO

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
SLC6A1 P30531 3/20 0.36
SLC6A11 P48066 1/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TACR1 P25103 1/20 0.33
SPHK2 Q9NRA0 2/20 0.33
SPHK1 Q9NYA1 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL8727525 1.00 LMNA (0.37) LMNASLC6A1SLC6A11ATML3MBTL1
SCHEMBL8343421 0.81 LMNA (0.40) LMNASLC6A1SLC6A11ATML3MBTL1
SCHEMBL6854308 0.74 MDM4 (0.37) CHRM3
SCHEMBL1793271 0.73 CHRM2 (0.36) LMNAATML3MBTL1CHRM2CHRM3
SCHEMBL6853795 0.72 LMNA (0.39) LMNASLC6A1SLC6A11
SCHEMBL8729183 0.72 LMNA (0.39) LMNASLC6A1SLC6A11
SCHEMBL8729229 0.72 LMNA (0.39) LMNASLC6A1SLC6A11
SCHEMBL8346731 0.70 ATM (0.41) SLC6A1SLC6A11ATML3MBTL1CHRM2
SCHEMBL8661016 0.69 MAPT (0.41) L3MBTL1CHRM2CHRM3
SCHEMBL28385294 0.69 LMNA (0.38) LMNAATML3MBTL1CHRM3SMN1; SMN2

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