SCHEMBL27799360

SCHEMBL27799360

CNC(=O)O.COC(CCl)Oc1ccccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 4/20 0.36
ACHE P22303 1/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL11142667 0.88 TP53 (0.48) TSHRCA1CA2TP53GAA
SCHEMBL73994 0.79 ALDH1A1 (0.61) GAAALDH1A1ACHELMNAHPGD
SCHEMBL29408436 0.79 ALDH1A1 (0.61) GAAALDH1A1ACHELMNAHPGD
SCHEMBL584862 0.77 ALDH1A1 (0.58) TSHRCA1CA2TP53GAA
SCHEMBL9857296 0.77 POLB (0.48) TSHRGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL10879375 0.75 TSHR (0.52) TSHRCA1CA2TP53GAA
SCHEMBL10657484 0.72 TSPO (0.41) SMN1; SMN2ALDH1A1KDM4EKMT2ATDP1
SCHEMBL11203608 0.69 ALDH1A1 (0.37) TSHRALDH1A1ACHELMNAHPGD
SCHEMBL27789342 0.69 APP (0.57) GAASMN1; SMN2LMNAHPGDKMT2A
Catechol SCHEMBL10619594 0.69 KDM4E (0.53) TSHRCA1CA2TP53GAA

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
CN-101939339-A Detection of biomarkers ATERIS TECHNOLOGIES LLC 2011-01-05 CN disclosed