SCHEMBL6015881

SCHEMBL6015881

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

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
MAPT P10636 2/20 0.32
MMP14 P50281 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 2/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
ERAP2 Q6P179 2/20 0.30
LNPEP Q9UIQ6 2/20 0.30
RXFP1 Q9HBX9 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30

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 0.89 ALDH1A1 (0.33) ALDH1A1ERAP2LNPEPTAS1R3TAS1R1
SCHEMBL6015654 0.88 ALDH1A1 (0.33) SMN1; SMN2MAPTALDH1A1HTTTSHR
SCHEMBL6015670 0.83 EPHX1 (0.32)
SCHEMBL6016011 0.80 TSHR (0.32) ALDH1A1TSHRCYP2C19
SCHEMBL6015884 0.76 HPGD (0.39) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL25661126 0.63 GSR (0.50) TSHRKMT2ACYP3A4CYP2C19
SCHEMBL25660443 0.63 GSR (0.50) TSHRKMT2ACYP3A4CYP2C19
SCHEMBL5439907 0.57 ENPEP (0.47) ALDH1A1TSHR
SCHEMBL6823559 0.56 CES2 (0.47) RAB9ANPC1MAPTHTT
SCHEMBL7303608 0.56 ALDH1A1 (0.42) MAPTALDH1A1HTTTSHRKMT2A

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 6 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
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP claimed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO 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