SCHEMBL28339986

SCHEMBL28339986

COc1cc(CC(=O)CN)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.69
ALDH1A1 P00352 2/20 0.69
GAA P10253 2/20 0.69
NFKB1 P19838 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
TAAR1 Q96RJ0 2/20 0.63
MAPK1 P28482 1/20 0.63
LMNA P02545 1/20 0.61
GLA P06280 1/20 0.61
ALOX5 P09917 2/20 0.59
OR51E2 Q9H255 1/20 0.59
FOS P01100 1/20 0.53
TTR P02766 1/20 0.53
JUN P05412 1/20 0.53
NR3C1 P04150 1/20 0.53
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
CYP3A4 P08684 2/20 0.51
PTPN1 P18031 1/20 0.51
AR P10275 1/20 0.51

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
SCHEMBL7114863 0.90 TSHR (0.77) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL28228773 0.86 TSHR (0.67) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL11115600 0.85 TSHR (0.71) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL933461 0.85 TSHR (0.71) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL15540877 0.84 GAA (0.69) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL258202 0.83 GAA (0.73) TSHRALDH1A1GAANFKB1TDP1
Homovanillic Acid SCHEMBL8792 0.81 GAA (1.00) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL1682653 0.81 TSHR (0.75) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL30310280 0.81 TSHR (0.75) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL30310281 0.81 TSHR (0.75) TSHRALDH1A1GAANFKB1TDP1

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
CN-110483253-B Method for preparing guaiacol product by pyrolyzing lignin through steam-assisted fixed bed 中国林业科学研究院林产化学工业研究所 2022-05-06 CN claimed
CN-110483253-A The method that a pyrolysis lignin prepares guaiaci lignum phenolic product is auxiliarily fixed in a kind of steam INST CHEMICAL IND FOREST PRODUCTS CAF 2019-11-22 CN claimed
CN-110483253-B Method for preparing guaiacol product by pyrolyzing lignin through steam-assisted fixed bed 中国林业科学研究院林产化学工业研究所 2022-05-06 CN disclosed