SCHEMBL12774697

SCHEMBL12774697

CC#CC#CC#CC#CC#CC#CC#COc1ccc(OC(=O)c2ccc(N)cc2N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45
ADRA1A P35348 1/20 0.45
KDR P35968 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NR1H4 Q96RI1 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 2/20 0.39
HPGD P15428 2/20 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
SCHEMBL12774711 0.80 MAPT (0.41) ALDH1A1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL12774706 0.80 PRSS1 (0.40) KMT2ASMN1; SMN2LMNANR1H4HSD17B10
SCHEMBL8629316 0.77 MAPT (0.58) ALDH1A1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL12774696 0.75 MAPT (0.41) ALDH1A1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL16356158 0.75 MAPT (0.49) ALDH1A1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL13161512 0.72 MMP1 (0.37) KMT2AMAPTLMNAKDM4ERAB9A
SCHEMBL14565873 0.71 ACR (0.55) ALDH1A1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL12774707 0.70 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTLMNATP53
SCHEMBL13124083 0.70 NPC1 (0.54) ALDH1A1MAPTSMN1; SMN2LMNATP53
SCHEMBL12774698 0.70 NPC1 (0.54) ALDH1A1MAPTSMN1; SMN2LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8545946-B2 Liquid crystal alignment solution DAXIN MATERIALS CORPORATION (TW) 2013-10-01 US disclosed
US-7914863-B2 Liquid crystal alignment solution DAXIN MATERIAL CORPORATION (TW) 2011-03-29 US disclosed
US-20090194737-A1 LIQUID CRYSTAL ALIGNMENT SOLUTION DAXIN MATERIAL CORPORATION (TW) 2009-08-06 US disclosed