SCHEMBL15313688

SCHEMBL15313688

Cc1ccc(Cc2ccc(Cc3cc(CCCc4ccccc4)c(O)c(O)c3O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.43
ALOX15 P16050 2/20 0.43
PTPN1 P18031 2/20 0.42
PTPN2 P17706 1/20 0.42
PTPN6 P29350 1/20 0.42
BCL2 P10415 2/20 0.41
BCL2L1 Q07817 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
ATM Q13315 1/20 0.40
IDH1 O75874 1/20 0.39

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
SCHEMBL15313687 0.83 SIGMAR1 (0.43) IGF1RALOX15BCL2BCL2L1
SCHEMBL15313716 0.82 FFAR1 (0.44) IGF1RALOX15BCL2BCL2L1PLAAT3
SCHEMBL15313772 0.80 TDP1 (0.46) IGF1RALOX15TDP1L3MBTL1PLAAT3
SCHEMBL11826291 0.80 PTPN1 (0.58) PTPN1PTPN2PTPN6BCL2BCL2L1
SCHEMBL15313677 0.78 CNR1 (0.48) ALOX15BCL2BCL2L1TDP1
SCHEMBL3821734 0.77 BCL2 (0.43) IGF1RALOX15PTPN1PTPN2PTPN6
SCHEMBL8930618 0.76 BCL2 (0.61) ALOX15PTPN1PTPN2PTPN6BCL2
SCHEMBL2356590 0.76 HTR2A (0.60) TDP1L3MBTL1PLAAT3PLAAT5PLAAT2
SCHEMBL15313690 0.75 BCL2 (0.43) ALOX15PTPN1PTPN2PTPN6BCL2
SCHEMBL15313768 0.75 BCL2 (0.44) PTPN1PTPN2PTPN6BCL2BCL2L1

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