SCHEMBL6015672

SCHEMBL6015672

CCOC(CCNCC(=O)c1ccc2[c]c[nH]c2c1)OCC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 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
SCHEMBL6015884 0.81 HPGD (0.39) ALDH1A1MAPTHPGDKMT2A
SCHEMBL6015656 0.81 ALDH1A1 (0.39) ALDH1A1MAPTKMT2A
SCHEMBL6015845 0.80 KDM4E (0.31) ALDH1A1HPGD
SCHEMBL6016013 0.79 ALDH1A1 (0.37) ALDH1A1HPGDKMT2A
SCHEMBL6015894 0.79 ALDH1A1 (0.42) ALDH1A1HPGDKMT2A
SCHEMBL6015968 0.78 ALOX15 (0.33) EPHX1
SCHEMBL6015670 0.78 EPHX1 (0.32) EPHX1
SCHEMBL6016047 0.74 HTR3A (0.39) ALDH1A1MAPTHPGDKMT2A
SCHEMBL6015948 0.73 HTR3A (0.41) ALDH1A1MAPTHPGDKMT2A
SCHEMBL6015762 0.73 HTR3A (0.41) ALDH1A1MAPTHPGDKMT2A

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
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