SCHEMBL15313757

SCHEMBL15313757

O=C(c1cc(S(=O)(=O)N2CCc3ccccc3C2)c(O)c(O)c1O)N1CCc2ccc(S(=O)(=O)NCCCc3ccccc3)cc2C1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.69
MCL1 Q07820 1/20 0.69
BAD Q92934 1/20 0.69
BACE1 P56817 1/20 0.44
LMNA P02545 4/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
AKR1C3 P42330 2/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR7 P34969 3/20 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
SCHEMBL15313742 0.95 BCL2 (0.73) BCL2MCL1BADBACE1LMNA
SCHEMBL15313763 0.91 BCL2 (0.67) BCL2MCL1BADBACE1LMNA
SCHEMBL15313741 0.91 BCL2 (0.61) BCL2MCL1BADBACE1LMNA
SCHEMBL15313754 0.89 BCL2 (0.65) BCL2MCL1BADBACE1LMNA
SCHEMBL15313753 0.89 BCL2 (0.65) BCL2MCL1BADBACE1LMNA
SCHEMBL15313756 0.89 BCL2 (0.65) BCL2MCL1BADBACE1LMNA
SCHEMBL15313755 0.88 BCL2 (0.64) BCL2MCL1BADBACE1LMNA
SCHEMBL15313751 0.88 BCL2 (0.63) BCL2MCL1BADBACE1LMNA
SCHEMBL15313961 0.88 BCL2 (0.65) BCL2MCL1BADBACE1LMNA
SCHEMBL15313962 0.87 BCL2 (0.78) BCL2MCL1BADLMNAHTT

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