SCHEMBL8745396

SCHEMBL8745396

O=S(=O)(c1ccccc1O)c1ccccc1O.c1ccc(COCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
HTR2B P41595 1/20 0.48
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 4/20 0.47
DAO P14920 1/20 0.45
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL8745392 0.83 APP (0.47) CA1CA2CA9TDP1L3MBTL1
Phenol SCHEMBL27474455 0.81 CA12 (0.50) CA1CA2CA9TDP1L3MBTL1
Catechol SCHEMBL10530180 0.80 TSHR (0.75) TSHRHTR2BCA1CA2CA9
Benzene SCHEMBL28329054 0.80 GAA (0.48) CA1CA2CA9TDP1L3MBTL1
SCHEMBL29381412 0.80 TDP1 (0.50) TSHRCA1CA2CA9TDP1
SCHEMBL190005 0.80 TDP1 (0.50) TSHRCA1CA2CA9TDP1
SCHEMBL18837 0.80 TDP1 (0.50) TSHRCA1CA2CA9TDP1
Sulfuric Acid SCHEMBL21681660 0.78 TSHR (0.71) TSHRCA1CA2CA9DAO
SCHEMBL8652278 0.78 TDP1 (0.48) TSHRCA1CA2CA9TDP1
SCHEMBL8652280 0.78 GAA (0.50) TSHRCA1CA2CA9TDP1

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-0416684-B1 Photographic yellow couplers, method for their preparation and intermediates therefor EASTMAN KODAK CO (US) 1997-01-29 EP disclosed
US-5021333-A Pivaloylacetanilide-type yellow coupler EASTMAN KODAK COMPANY (US) 1991-06-04 US disclosed
EP-0416684-A2 Photographic yellow couplers, method for their preparation and intermediates therefor EASTMAN KODAK COMPANY (US) 1991-03-13 EP disclosed