SCHEMBL28427946

SCHEMBL28427946

Oc1cccc2c(O)cccc12.[NaH]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.69
HSD17B10 Q99714 5/20 0.63
HPGD P15428 4/20 0.63
ALOX15 P16050 4/20 0.63
RECQL P46063 3/20 0.63
TDP1 Q9NUW8 3/20 0.63
MAPT P10636 3/20 0.63
CYP1A2 P05177 2/20 0.63
APP P05067 1/20 0.63
THRB P10828 1/20 0.63
TSHR P16473 1/20 0.63
CASP1 P29466 1/20 0.63
SNCA P37840 1/20 0.63
CDK2 P24941 2/20 0.54
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.53
EGFR P00533 2/20 0.53
CA2 P00918 2/20 0.53
FYN P06241 2/20 0.53
MMP9 P14780 2/20 0.53

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
SCHEMBL29351230 0.96 IDO1 (0.73) IDO1HSD17B10HPGDALOX15RECQL
SCHEMBL28327 0.96 IDO1 (0.73) IDO1HSD17B10HPGDALOX15RECQL
SCHEMBL4869305 0.96 IDO1 (0.73) IDO1HSD17B10HPGDALOX15RECQL
Methane SCHEMBL28164610 0.93 IDO1 (0.69) IDO1HSD17B10HPGDALOX15RECQL
Hydrochloric Acid SCHEMBL28326959 0.93 IDO1 (0.69) IDO1HSD17B10HPGDALOX15RECQL
SCHEMBL16107538 0.90 IDO1 (0.65) IDO1HSD17B10HPGDALOX15RECQL
SCHEMBL9721905 0.90 IDO1 (0.87) IDO1HSD17B10HPGDALOX15RECQL
Formaldehyde SCHEMBL11763625 0.87 IDO1 (0.61) IDO1HSD17B10HPGDALOX15RECQL
Hydroquinone SCHEMBL21552049 0.87 IDO1 (0.61) IDO1HSD17B10HPGDALOX15RECQL
Sulfur Dioxide SCHEMBL25430222 0.84 IDO1 (0.58) IDO1HSD17B10HPGDALOX15RECQL

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
CN-111333084-B Method for recycling caustic alkali in sulfonated alkali fusion process 浙江龙盛化工研究有限公司 2022-10-04 CN disclosed
CN-111333084-A Method for recycling caustic alkali in sulfonated alkali fusion process 浙江龙盛化工研究有限公司 2020-06-26 CN disclosed