SCHEMBL15313879

SCHEMBL15313879

O=C1c2ccccc2-c2ccc(NC(=O)c3cc(-c4cccc5ccccc45)c(O)c(O)c3O)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 6/20 0.53
CTSL P07711 2/20 0.53
PTPN1 P18031 2/20 0.53
CTSS P25774 2/20 0.53
PTPN13 Q12923 2/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
ACE2 Q9BYF1 1/20 0.52
MAPT P10636 8/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAOA P21397 1/20 0.48
POLB P06746 5/20 0.47
TNF P01375 1/20 0.47
LMNA P02545 1/20 0.47
NOD1 Q9Y239 1/20 0.47
MCL1 Q07820 2/20 0.46
OPRM1 P35372 1/20 0.46

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
SCHEMBL15313875 0.81 MAOA (0.47) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL15313864 0.74 BCL2L1 (0.65) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL29790411 0.73 ACE2 (0.68) PTPRCCTSLPTPN1CTSSPTPN13
SCHEMBL15490695 0.73 ACE2 (0.68) PTPRCCTSLPTPN1CTSSPTPN13
SCHEMBL29790438 0.72 ACE2 (0.70) PTPRCCTSLPTPN1CTSSPTPN13
SCHEMBL15490693 0.72 ACE2 (0.70) PTPRCCTSLPTPN1CTSSPTPN13
SCHEMBL24634803 0.71 ACE2 (0.78) PTPRCCTSLPTPN1CTSSPTPN13
SCHEMBL5491008 0.71 DEGS1 (0.60) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL9311893 0.71 MEN1 (0.71) PTPRCCTSLPTPN1CTSSPTPN13
SCHEMBL30519331 0.70 ACE2 (1.00) PTPRCCTSLPTPN1CTSSPTPN13

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