SCHEMBL6963719

SCHEMBL6963719

C[CH]NC(CCC)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
EPHX1 P07099 2/20 0.30
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6971461 0.98 SHBG (0.35) SHBGSMN1; SMN2
SCHEMBL6968166 0.90 CACNA2D1 (0.30)
SCHEMBL6971572 0.84 SHBG (0.46) SHBGEPHX1KDM4EALDH1A1
SCHEMBL22244734 0.83 ADH1A (0.42) SHBGSMN1; SMN2EPHX1ADH1BADH1C
SCHEMBL6968801 0.82 SHBG (0.43) SHBGEPHX1KDM4E
SCHEMBL6965872 0.81 SHBG (0.36) SHBGSMN1; SMN2EPHX1
SCHEMBL6963958 0.81 SHBG (0.34) SHBGSMN1; SMN2EPHX1KDM4EALDH1A1
SCHEMBL6970474 0.79 SHBG (0.33) SHBGSMN1; SMN2
SCHEMBL25764901 0.77 SHBG (0.41) SHBGSMN1; SMN2PKMCTDSP1EPHX1
SCHEMBL13080892 0.76 SHBG (0.41) SHBGSMN1; SMN2PKMCTDSP1EPHX1

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