SCHEMBL15313992

SCHEMBL15313992

CC(C)c1cc(C(=O)N2CCc3ccc(S(=O)(=O)NCCc4ccccc4)cc3C2)c(O)c(O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 1.00
MCL1 Q07820 1/20 0.72
BAD Q92934 1/20 0.72
SMN1; SMN2 Q16637 4/20 0.46
HSP90AB1 P08238 4/20 0.44
LMNA P02545 4/20 0.44
HTT P42858 3/20 0.44
PKM P14618 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
DGAT1 O75907 1/20 0.42
MGAT3 Q09327 1/20 0.42
MGAT2 Q10469 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL15313760 0.88 BCL2 (0.79) BCL2MCL1BADSMN1; SMN2LMNA
SCHEMBL15313996 0.87 BCL2 (0.77) BCL2MCL1BADSMN1; SMN2LMNA
SCHEMBL15313970 0.86 BCL2 (0.75) BCL2MCL1BADSMN1; SMN2LMNA
SCHEMBL15313962 0.86 BCL2 (0.78) BCL2MCL1BADSMN1; SMN2LMNA
SCHEMBL15313746 0.85 BCL2 (0.86) BCL2MCL1BADSMN1; SMN2LMNA
SCHEMBL15313750 0.85 BCL2 (0.91) BCL2MCL1BADSMN1; SMN2LMNA
SCHEMBL15313742 0.85 BCL2 (0.73) BCL2MCL1BADSMN1; SMN2LMNA
SCHEMBL15313749 0.84 BCL2 (1.00) BCL2MCL1BADSMN1; SMN2LMNA
SCHEMBL15313971 0.83 BCL2 (0.96) BCL2MCL1BADSMN1; SMN2LMNA
SCHEMBL15313973 0.83 BCL2 (0.85) BCL2MCL1BADSMN1; SMN2LMNA

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