SCHEMBL21981933

SCHEMBL21981933

Oc1ccc2ccccc2c1O.Oc1cccc2c(O)cccc12

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.83
CYP1A2 P05177 2/20 0.67
IDO1 P14902 1/20 0.56
POLB P06746 1/20 0.52
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
PAK1 Q13153 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.48
MAPT P10636 2/20 0.48
APP P05067 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
SNCA P37840 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
1-Naphthol SCHEMBL6879398 0.96 PTPN22 (0.83) PTPN22CYP1A2IDO1POLBHSD17B10
Catechol SCHEMBL7145300 0.91 PTPN22 (0.91) PTPN22CYP1A2IDO1POLBHSD17B10
SCHEMBL29613822 0.91 PTPN22 (1.00) PTPN22CYP1A2IDO1POLBHSD17B10
Hydrochloric Acid SCHEMBL28347175 0.91 PTPN22 (1.00) PTPN22CYP1A2IDO1POLBHSD17B10
SCHEMBL28483 0.91 PTPN22 (1.00) PTPN22CYP1A2IDO1POLBHSD17B10
Hydrochloric Acid SCHEMBL27843667 0.91 PTPN22 (1.00) PTPN22CYP1A2IDO1POLBHSD17B10
Catechol SCHEMBL17964349 0.89 PTPN22 (0.86) PTPN22CYP1A2IDO1POLBHSD17B10
Water SCHEMBL10892200 0.89 PTPN22 (0.95) PTPN22CYP1A2IDO1POLBHSD17B10
SCHEMBL30661812 0.89 PTPN22 (0.95) PTPN22CYP1A2IDO1POLBHSD17B10
SCHEMBL4068022 0.89 PTPN22 (0.95) PTPN22CYP1A2IDO1POLBHSD17B10

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
EP-3508919-B1 METHOD FOR PRODUCING DIHYDROXYNAPHTHALENE CONDENSATE AND DIHYDROXYNAPHTHALENE CONDENSATE SHINETSU CHEMICAL CO (JP) 2020-07-15 EP claimed
EP-3508918-B1 COMPOSITION FOR FORMING ORGANIC FILM, SUBSTRATE FOR MANUFACTURING SEMICONDUCTOR DEVICE, METHOD FOR FORMING ORGANIC FILM, AND PATTERNING PROCESS SHINETSU CHEMICAL CO (JP) 2020-07-15 EP claimed
EP-3505507-B1 METHOD FOR PURIFYING DIHYDROXYNAPHTHALENE SHINETSU CHEMICAL CO (JP) 2020-05-27 EP claimed