SCHEMBL15313790

SCHEMBL15313790

CC(C)c1cccc(NC(=O)c2cc(CCc3ccccc3)c(O)c(O)c2O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.58
FADS1 O60427 1/20 0.54
ALDH1A1 P00352 1/20 0.50
ADRB2 P07550 1/20 0.50
LMNA P02545 3/20 0.47
AKR1C3 P42330 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
HTT P42858 1/20 0.44
PLG P00747 2/20 0.43
KLK1 P06870 2/20 0.43
KLK6 Q92876 2/20 0.43
NLRP3 Q96P20 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TERT O14746 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
OPRL1 P41146 1/20 0.41

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
SCHEMBL15313792 0.81 BCL2 (0.58) BCL2ALDH1A1ADRB2LMNAKDM4E
SCHEMBL15313786 0.80 BCL2 (0.67) BCL2ALDH1A1ADRB2LMNAKDM4E
SCHEMBL15313836 0.78 BCL2 (0.64) BCL2LMNATP53MAPT
SCHEMBL15313778 0.76 BCL2 (0.56) BCL2ALDH1A1ADRB2LMNAKDM4E
SCHEMBL15314355 0.76 BCL2 (0.56) BCL2ALDH1A1ADRB2LMNAKDM4E
SCHEMBL15313788 0.76 BCL2 (0.62) BCL2ALDH1A1ADRB2LMNAKDM4E
SCHEMBL15313795 0.75 BCL2 (0.57) BCL2ALDH1A1ADRB2LMNAKDM4E
SCHEMBL15313847 0.74 BCL2 (1.00) BCL2ALDH1A1ADRB2LMNAKDM4E
SCHEMBL15313787 0.74 BCL2 (0.56) BCL2ALDH1A1ADRB2LMNASMN1; SMN2
SCHEMBL8283426 0.72 KCNK9 (0.69) FADS1LMNASMN1; SMN2HTTNLRP3

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