SCHEMBL6015654

SCHEMBL6015654

CC(C)OCCCC(N)C(=O)c1ccc2[c]c[nH]c2c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PAX8 Q06710 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL6015888 0.90 ALDH1A1 (0.33) ALDH1A1
SCHEMBL6015881 0.88 HPGD (0.32) ALDH1A1TSHRL3MBTL1HTTSMN1; SMN2
SCHEMBL6015670 0.82 EPHX1 (0.32)
SCHEMBL6016011 0.78 TSHR (0.32) ALDH1A1TSHR
SCHEMBL6015656 0.76 ALDH1A1 (0.39) ALDH1A1TSHRL3MBTL1HTTSMN1; SMN2
SCHEMBL27620069 0.75 TSHR (0.37) ALDH1A1TSHRL3MBTL1HTTSMN1; SMN2
SCHEMBL6015865 0.69 HPGD (0.38) L3MBTL1
SCHEMBL5536597 0.68 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2
SCHEMBL5539416 0.68 ESR1 (0.50) ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL6015815 0.68 DPP4 (0.31)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US claimed
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO disclosed