SCHEMBL15313709

SCHEMBL15313709

Oc1c(Br)cc(Cc2ccc(Oc3ccccc3)cc2)c(O)c1O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.46
LTA4H P09960 2/20 0.46
BCL2 P10415 3/20 0.43
MCL1 Q07820 1/20 0.43
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
PTPN1 P18031 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
NR3C1 P04150 1/20 0.41
P2RX3 P56373 1/20 0.41
FFAR1 O14842 1/20 0.41
IDH1 O75874 1/20 0.40
TTR P02766 1/20 0.40
BCL2L1 Q07817 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
SCHEMBL15313694 0.87 LTA4H (0.52) SRD5A2LTA4HBCL2MCL1NR1H2
SCHEMBL15313712 0.81 BCL2 (0.49) SRD5A2LTA4HBCL2MCL1GRIN1
SCHEMBL15313715 0.81 FFAR1 (0.46) SRD5A2LTA4HBCL2MCL1FFAR1
SCHEMBL15313714 0.78 RIPK1 (0.48) SRD5A2LTA4HBCL2MCL1NR1H2
SCHEMBL15313711 0.78 BCL2 (0.59) SRD5A2LTA4HBCL2MCL1GRIN1
SCHEMBL15313716 0.78 FFAR1 (0.44) SRD5A2LTA4HBCL2MCL1FFAR1
SCHEMBL15313710 0.76 LTA4H (0.50) SRD5A2LTA4HNR1H2BAXGRIN1
SCHEMBL15313713 0.76 BCL2 (0.47) SRD5A2LTA4HBCL2MCL1GRIN1
SCHEMBL9325719 0.75 BCL2 (0.62) SRD5A2BCL2MCL1PTPN1
SCHEMBL15313693 0.74 BCL2 (0.68) SRD5A2BCL2MCL1PTPN1

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