SCHEMBL9329653

SCHEMBL9329653

[O]CCCOCCOCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
NAAA Q02083 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
TEAD3 Q99594 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
EPHX2 P34913 2/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LTA4H P09960 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL2067114 0.96 TSHR (0.58) TSHRNAAAL3MBTL1TDP1HRH4
SCHEMBL96048 0.90 TSHR (0.56) TSHRNAAAL3MBTL1TDP1HRH4
SCHEMBL96808 0.88 L3MBTL1 (0.54) TSHRNAAAL3MBTL1TDP1HRH4
SCHEMBL97794 0.88 L3MBTL1 (0.54) TSHRNAAAL3MBTL1TDP1HRH4
SCHEMBL8062638 0.88 TSHR (0.58) TSHRNAAAL3MBTL1TDP1HRH4
SCHEMBL10316554 0.88 TSHR (0.58) TSHRNAAAL3MBTL1TDP1HRH4
SCHEMBL21184508 0.87 TSHR (0.64) TSHRNAAAL3MBTL1TDP1HRH4
SCHEMBL16595002 0.87 TSHR (0.64) TSHRNAAAL3MBTL1TDP1HRH4
SCHEMBL23405397 0.85 TSHR (0.61) TSHRNAAAL3MBTL1TDP1HRH4
SCHEMBL20535824 0.85 TSHR (0.61) TSHRNAAAL3MBTL1TDP1HRH4

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-0381974-B1 Thiophene azo dyes with a coupling component based on m-phenylene diamine BASF AG (DE) 1994-03-16 EP disclosed
US-5145952-A Blue, textiles BASF AKTIENGESELLSCHAFT (DE) 1992-09-08 US disclosed
EP-0381974-A2 Thiophene azo dyes with a coupling component based on m-phenylene diamine BASF Aktiengesellschaft (DE) 1990-08-16 EP disclosed