SCHEMBL15313665

SCHEMBL15313665

COc1c(C=O)cc(C2OCCO2)c(OC)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ERN1 O75460 5/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MCL1 Q07820 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TUBB1 Q9H4B7 1/20 0.33
PRKDC P78527 1/20 0.33
TRIM24 O15164 1/20 0.31
TYR P14679 1/20 0.31

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
SCHEMBL17133396 0.77 ALDH1A1 (0.52) LMNAHPGDMEN1KMT2ANPC1
SCHEMBL15313667 0.76 CA2 (0.42) NPC1RAB9AALDH1A1CA1CA2
SCHEMBL21164867 0.74 ERN1 (0.50) LMNAHPGDNPC1RAB9AALDH1A1
SCHEMBL17133355 0.74 NPC1 (0.52) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL18840151 0.73 ALDH1A1 (0.40) LMNAHPGDMEN1KMT2ANPC1
SCHEMBL6737359 0.73 ACHE (0.40) NPC1RAB9AMAPT
SCHEMBL3751505 0.69 ALDH1A1 (0.59) LMNAHPGDALDH1A1KDM4ETSHR
SCHEMBL13894661 0.69 ALDH1A1 (0.43) LMNAHPGDMEN1KMT2AALDH1A1
SCHEMBL18085975 0.68 NPC1 (0.42) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL11799303 0.68 ALDH1A1 (0.38) LMNAHPGDMEN1KMT2ANPC1

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