SCHEMBL6976069

SCHEMBL6976069

CC[CH]NC(C)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MMP2 P08253 2/20 0.42
CA9 Q16790 2/20 0.42
SHBG P04278 1/20 0.41
EPHX1 P07099 2/20 0.37
TP53 P04637 1/20 0.34
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6973956 0.98 CA12 (0.39) CA12CA1CA2MMP2CA9
SCHEMBL6974490 0.84 SHBG (0.39) CA12CA1CA2MMP2CA9
SCHEMBL6966593 0.82 SHBG (0.35) CA12CA1CA2MMP2CA9
SCHEMBL6973973 0.78 SHBG (0.45) SHBGEPHX1TP53KDM4E
SCHEMBL6963012 0.76 CA12 (0.46) CA12CA1CA2MMP2CA9
SCHEMBL6975537 0.75 SHBG (0.41) SHBGEPHX1TP53
SCHEMBL13075595 0.74 CA12 (0.40) CA12CA1CA2MMP2CA9
SCHEMBL8952012 0.74 ADH1B (0.46) CA12CA1CA2MMP2CA9
SCHEMBL182149 0.74 ADH1B (0.46) CA12CA1CA2MMP2CA9
SCHEMBL6976498 0.73 CA12 (0.42) 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