SCHEMBL13898153

SCHEMBL13898153

CCC(C)c1ccc(C(=O)Oc2cc(C)c(Bc3c(C)cc(C)cc3C)c(C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
PRSS1 P07477 1/20 0.36
ACR P10323 1/20 0.36
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A2 P23975 1/20 0.34

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
SCHEMBL13898155 0.82 NPSR1 (0.40) KMT2ATSHRMEN1ALDH1A1TDP1
SCHEMBL13898215 0.79 SMN1; SMN2 (0.40) KMT2ATSHRMEN1ALDH1A1TDP1
SCHEMBL13897753 0.78 NPC1 (0.46) KMT2ATSHRMEN1ALDH1A1MAPT
SCHEMBL14461699 0.78 ALDH1A1 (0.50) KMT2ATSHRMEN1ALDH1A1TDP1
SCHEMBL14924829 0.77 PRSS1 (0.40) KMT2ATSHRMEN1ALDH1A1TDP1
SCHEMBL14962498 0.76 ALDH1A1 (0.44) KMT2ATSHRMEN1ALDH1A1TDP1
SCHEMBL13898165 0.74 CYP17A1 (0.36) KMT2ATSHRMEN1ALDH1A1TDP1
SCHEMBL1789851 0.74 ALDH1A1 (0.53) KMT2ATSHRMEN1ALDH1A1TDP1
SCHEMBL13898167 0.74 ALDH1A1 (0.37) KMT2ATSHRMEN1ALDH1A1TDP1
SCHEMBL13898172 0.74 KMT2A (0.51) KMT2ATSHRMEN1ALDH1A1MAPT

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-7510782-B2 Boron-containing polymer compound and organic light emitting device using the same SHOWA DENKO K.K. (JP) 2009-03-31 US disclosed
US-20070167588-A1 Boron-containing polymer compound and organic light emitting device using the same SHOWA DENKO K.K. (JP) 2007-07-19 US disclosed