SCHEMBL5566634

SCHEMBL5566634

[O]CCOCOCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
IDO1 P14902 1/20 0.41
AGXT P21549 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NAAA Q02083 1/20 0.40
LMNA P02545 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
CA7 P43166 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL96752 0.89 TSHR (0.64) TSHRIDO1AGXTSMN1; SMN2NAAA
SCHEMBL8062638 0.85 TSHR (0.58) TSHRIDO1AGXTSMN1; SMN2NAAA
SCHEMBL10316554 0.85 TSHR (0.58) TSHRIDO1AGXTSMN1; SMN2NAAA
SCHEMBL223907 0.84 TSHR (0.78) TSHRIDO1AGXTLMNACA1
SCHEMBL9575414 0.82 TSHR (0.67) TSHRIDO1AGXTSMN1; SMN2NAAA
SCHEMBL53267 0.82 TSHR (0.74) TSHRIDO1AGXTCA1CA2
SCHEMBL70291 0.82 TSHR (0.74) TSHRIDO1AGXTCA1CA2
SCHEMBL21156064 0.79 TSHR (0.56) TSHRIDO1AGXTNAAACA1
SCHEMBL14673418 0.79 TSHR (0.56) TSHRIDO1AGXTSMN1; SMN2NAAA
SCHEMBL14673871 0.79 TSHR (0.56) TSHRIDO1AGXTNAAACA1

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
US-7229480-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-06-12 US claimed