SCHEMBL4249599

SCHEMBL4249599

Nc1ccc(N)c(CCO)c1CO

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 2/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL460054 0.92 TDP1 (0.38) TDP1CA2TSHRALDH1A1HTT
Sulfuric Acid SCHEMBL3983159 0.81 CA2 (0.41) CA2TSHRALDH1A1CA12CA1
SCHEMBL6678290 0.81 ALDH1A1 (0.32) TDP1CA2TSHRALDH1A1HTT
SCHEMBL20210937 0.80 TDP1 (0.33) TDP1CA2TSHRALDH1A1HTT
SCHEMBL924138 0.79 ALDH1A1 (0.35) TDP1TSHRALDH1A1HTT
SCHEMBL28856679 0.78 CA2 (0.36) TDP1CA2ALDH1A1
SCHEMBL5551242 0.78
SCHEMBL1823532 0.77 TDP1 (0.40) TDP1CA2TSHRALDH1A1HTT
SCHEMBL6507916 0.76 TDP1 (0.34) TDP1CA2TSHRALDH1A1
SCHEMBL6506543 0.76 TSHR (0.39) TDP1CA2TSHRALDH1A1HTT

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-8608976-B2 Photo alignment material and method of manufacturing display substrate using the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-12-17 US disclosed
US-20090258158-A1 PHOTO ALIGNMENT MATERIAL AND METHOD OF MANUFACTURING DISPLAY SUBSTRATE USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-10-15 US disclosed