SCHEMBL6973956

SCHEMBL6973956

CC[CH]NC(C)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MMP2 P08253 2/20 0.39
CA9 Q16790 2/20 0.39
SHBG P04278 1/20 0.38
EPHX1 P07099 2/20 0.34
HTT P42858 1/20 0.32
EPHX2 P34913 2/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL6976069 0.98 CA12 (0.42) CA12CA1CA2MMP2CA9
SCHEMBL6966593 0.83 SHBG (0.35) CA12CA1CA2MMP2CA9
SCHEMBL6974490 0.82 SHBG (0.39) CA12CA1CA2MMP2CA9
SCHEMBL6975537 0.77 SHBG (0.41) SHBGEPHX1TP53ALDH1A1NPSR1
SCHEMBL6973973 0.75 SHBG (0.45) SHBGEPHX1TP53ALDH1A1NPSR1
SCHEMBL6976498 0.75 CA12 (0.42) CA12CA1CA2MMP2CA9
SCHEMBL3860886 0.74
SCHEMBL6963958 0.74 SHBG (0.34) SHBGEPHX1ALDH1A1
SCHEMBL6963012 0.73 CA12 (0.46) CA12CA1CA2MMP2CA9
SCHEMBL13075595 0.71 CA12 (0.40) CA12CA1CA2MMP2CA9

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-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed