SCHEMBL6966593

SCHEMBL6966593

CCC[CH]NC(C)C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP2 P08253 2/20 0.33
CA9 Q16790 2/20 0.33
EPHX1 P07099 1/20 0.31
CNR2 P34972 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
SCHEMBL6974490 0.98 SHBG (0.39) SHBGCA12CA1CA2MMP2
SCHEMBL3860886 0.92
SCHEMBL6973956 0.83 CA12 (0.39) SHBGCA12CA1CA2MMP2
SCHEMBL6976069 0.82 CA12 (0.42) SHBGCA12CA1CA2MMP2
SCHEMBL6970474 0.77 SHBG (0.33) SHBG
SCHEMBL6965872 0.76 SHBG (0.36) SHBGEPHX1
SCHEMBL1043899 0.73
SCHEMBL7846367 0.72 NISCH (0.32)
SCHEMBL6976498 0.72 CA12 (0.42) SHBGCA12CA1CA2MMP2
SCHEMBL6963012 0.70 CA12 (0.46) SHBGCA12CA1CA2MMP2

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
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