SCHEMBL1933595

SCHEMBL1933595

O=C1CCCCCCCCCCC(C(=O)c2ccc(C(=O)C3CCCCCCCCCCC(=O)N3)cc2)N1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.44
MAPK1 P28482 1/20 0.42
SRD5A2 P31213 1/20 0.40
MME P08473 10/20 0.36
ACE P12821 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
ECE1 P42892 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ABL1 P00519 1/20 0.34

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
SCHEMBL10531994 1.00 MCL1 (0.44) MCL1MAPK1SRD5A2MMEACE
SCHEMBL993051 0.98 MCL1 (0.45) MCL1MAPK1SRD5A2MMEACE
SCHEMBL8028222 0.93 MCL1 (0.39) MCL1MAPK1SRD5A2SMN1; SMN2GAA
SCHEMBL6225198 0.91 MGLL (0.40) MCL1MAPK1SMN1; SMN2KMT2A
SCHEMBL38409 0.90 MCL1 (0.57) MCL1MMEACESMN1; SMN2GAA
SCHEMBL8014971 0.90 MCL1 (0.57) MCL1MMEACESMN1; SMN2GAA
SCHEMBL8645790 0.89 MCL1 (0.55) MCL1MMEACESMN1; SMN2MEN1
SCHEMBL8935361 0.88 CA1 (0.40) MCL1MAPK1MMEACESMN1; SMN2
SCHEMBL7721046 0.88 ABL1 (0.38) MCL1MAPK1MMEACESMN1; SMN2
SCHEMBL9621799 0.87 MCL1 (0.43) MCL1MMEACESMN1; SMN2ECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0461422-A2 Thermoplastic moulding compositions containing polyphenylene ester and a polyester HÜLS AKTIENGESELLSCHAFT (DE) 1991-12-18 EP claimed
WO-2011066616-A1 POLYMERIC MATERIALS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-06-09 WO disclosed
WO-2009065765-A2 POLYAMIDE COMPOSITIONS FOR POLYAMIDE-BASED CORDS LANXESS DEUTSCHLAND GMBH (DE) 2009-05-28 WO disclosed
EP-0461422-A2 Thermoplastic moulding compositions containing polyphenylene ester and a polyester HÜLS AKTIENGESELLSCHAFT (DE) 1991-12-18 EP disclosed
EP-0436802-A2 Capped polyphenylenether HÜLS AKTIENGESELLSCHAFT (DE) 1991-07-17 EP disclosed