SCHEMBL15313962

SCHEMBL15313962

O=C(c1cc(S(=O)(=O)NCCCCc2ccccc2)c(O)c(O)c1O)N1CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2C1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.78
MCL1 Q07820 1/20 0.78
BAD Q92934 1/20 0.78
SMN1; SMN2 Q16637 5/20 0.46
PNMT P11086 2/20 0.45
SLC6A5 Q9Y345 1/20 0.42
DGAT1 O75907 1/20 0.42
MGAT3 Q09327 1/20 0.42
MGAT2 Q10469 1/20 0.42
HTT P42858 4/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL15313996 0.93 BCL2 (0.77) BCL2MCL1BADSMN1; SMN2DGAT1
SCHEMBL15313993 0.91 BCL2 (0.70) BCL2MCL1BADSMN1; SMN2DGAT1
SCHEMBL15313760 0.91 BCL2 (0.79) BCL2MCL1BADSMN1; SMN2DGAT1
SCHEMBL15313970 0.90 BCL2 (0.75) BCL2MCL1BADSMN1; SMN2DGAT1
SCHEMBL15313971 0.89 BCL2 (0.96) BCL2MCL1BADSMN1; SMN2DGAT1
SCHEMBL15313749 0.88 BCL2 (1.00) BCL2MCL1BADSMN1; SMN2DGAT1
SCHEMBL15313757 0.87 BCL2 (0.69) BCL2MCL1BADSMN1; SMN2HTT
SCHEMBL15313742 0.87 BCL2 (0.73) BCL2MCL1BADSMN1; SMN2DGAT1
SCHEMBL15313973 0.87 BCL2 (0.85) BCL2MCL1BADSMN1; SMN2DGAT1
SCHEMBL15313975 0.86 BCL2 (0.84) BCL2MCL1BADSMN1; SMN2DGAT1

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-8557812-B2 Small molecule inhibitors of anti-apoptotic BCL-2 family members and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-15 US disclosed
US-8557812-B2 Small molecule inhibitors of anti-apoptotic BCL-2 family members and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-15 US disclosed