SCHEMBL3633964

SCHEMBL3633964

C=CC(=O)OCCc1ccc(N)cc1N

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.45
TSHR P16473 7/20 0.44
ALDH1A1 P00352 4/20 0.44
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.38
MET P08581 6/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
ALOX5 P09917 1/20 0.32

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
SCHEMBL3691364 0.89 THRB (0.46) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL20207218 0.86 TSHR (0.42) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL10718237 0.84 THRB (0.37) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL28626780 0.82 THRB (0.47) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL8038786 0.81 THRB (0.55) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL10717019 0.81 THRB (0.44) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL10017530 0.81 THRB (0.51) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL16389889 0.80 TKT (0.41) TSHRALDH1A1TP53CYP3A4NPC1
SCHEMBL15600713 0.78 AKR1B10 (0.60) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10823792 0.78 NPC1 (0.51) THRBTSHRALDH1A1TP53HIF1A

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
EP-2142957-A1 METHOD OF UNIFORM AND DEFECT FREE LIQUID CRYSTAL ALIGNING LAYERS Rolic AG (CH) 2010-01-13 EP disclosed
WO-2008119449-A1 METHOD OF UNIFORM AND DEFECT FREE LIQUID CRYSTAL ALIGNING LAYERS ROLIC AG (CH) 2008-10-09 WO disclosed