SCHEMBL6015656

SCHEMBL6015656

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
GAA P10253 2/20 0.37
PAX8 Q06710 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC1 Q13547 1/20 0.35
LMNA P02545 3/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL27620069 0.94 TSHR (0.37) ALDH1A1MAPTTSHRL3MBTL1SMN1; SMN2
SCHEMBL6015894 0.89 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GAAKMT2ARAB9A
SCHEMBL6015884 0.87 HPGD (0.39) ALDH1A1MAPTTSHRL3MBTL1SMN1; SMN2
SCHEMBL6015672 0.81 EPHX1 (0.33) ALDH1A1MAPTKMT2A
SCHEMBL6015845 0.81 KDM4E (0.31) ALDH1A1HTTPOLB
SCHEMBL6015701 0.79 SMN1; SMN2 (0.42) ALDH1A1L3MBTL1SMN1; SMN2KMT2AHDAC1
SCHEMBL6015815 0.78 DPP4 (0.31)
SCHEMBL6016013 0.77 ALDH1A1 (0.37) ALDH1A1TSHRSMN1; SMN2HTTGAA
SCHEMBL6015654 0.76 ALDH1A1 (0.33) ALDH1A1MAPTTSHRL3MBTL1SMN1; SMN2
SCHEMBL6016047 0.75 HTR3A (0.39) ALDH1A1MAPTGAAKMT2AMEN1

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 2 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