SCHEMBL23898438

SCHEMBL23898438

CC(C)[C@@H](C)Cc1cc(C#N)cc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.38
ALOX15 P16050 4/20 0.35
ALOX12 P18054 4/20 0.35
TTR P02766 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ESR1 P03372 2/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
RECQL P46063 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TRPA1 O75762 2/20 0.35
NR3C1 P04150 2/20 0.35
FOS P01100 2/20 0.35
JUN P05412 2/20 0.35

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
SCHEMBL26635477 0.83 GLA (0.40) GLATTRMEN1KMT2AALDH1A1
SCHEMBL30892597 0.78 GLA (0.40) GLATTRMEN1KMT2AALDH1A1
SCHEMBL16954001 0.75 GLA (0.35) GLATTRSLC6A2SLC6A3ALB
SCHEMBL16955860 0.72 GLA (0.36) GLATTRALDH1A1SLC6A2SLC6A3
SCHEMBL16952652 0.71 ALB (0.35) GLATTRMEN1KMT2AESR1
SCHEMBL9927072 0.71 GRM5 (0.36) GLAPGR
SCHEMBL23159233 0.71 ADRA1D (0.38) GLANR3C1CNR1KCNH2
SCHEMBL16955858 0.71 GLA (0.35) GLATTRSLC6A2SLC6A3ALB
SCHEMBL2607125 0.70 CYP2A6 (0.58) GLAALOX15ALOX12TTRMEN1
SCHEMBL20698647 0.69 GLA (0.37) GLATTRALBCYP2A6LOXL2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210313521-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-10-07 US disclosed