SCHEMBL15313896

SCHEMBL15313896

O=S(=O)(c1ccccc1)c1ccc(-c2cc(Cc3ccccc3)c(O)c(O)c2O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.59
PTPN1 P18031 5/20 0.46
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
ELANE P08246 1/20 0.43
PTPN2 P17706 2/20 0.41
PTPN6 P29350 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
BCL2L1 Q07817 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 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
SCHEMBL15313782 0.84 PTPN1 (0.50) BCL2PTPN1ELANEPTPN2PTPN6
SCHEMBL15313768 0.80 BCL2 (0.44) BCL2PTPN1PTPN2PTPN6BCL2L1
SCHEMBL3821734 0.78 BCL2 (0.43) BCL2PTPN1ELANEPTPN2PTPN6
SCHEMBL3815076 0.77 IGF1R (0.45) BCL2PTPN1PTPN2PTPN6BCL2L1
SCHEMBL15313769 0.76 BCL2 (0.41) BCL2PTPN1PTPN2PTPN6BCL2L1
SCHEMBL15313820 0.75 BCL2 (1.00) BCL2BCL2L1
SCHEMBL3819520 0.72 RARB (0.46) PTGS1PTGS2
SCHEMBL15314346 0.72 RARB (0.46) PTGS1PTGS2
SCHEMBL15313695 0.72 PTPN1 (0.58) BCL2PTPN1PTPN2PTPN6BCL2L1
SCHEMBL8930618 0.71 BCL2 (0.61) BCL2PTPN1PTPN2PTPN6BCL2L1

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