SCHEMBL6973973

SCHEMBL6973973

CC[CH]NC(CC)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.45
EPHX1 P07099 1/20 0.36
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RX7 Q99572 2/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32

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
SCHEMBL6975537 0.98 SHBG (0.41) SHBGEPHX1TP53ALDH1A1NPSR1
SCHEMBL6962385 0.90 SHBG (0.37) SHBG
SCHEMBL6963958 0.82 SHBG (0.34) SHBGEPHX1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6971572 0.82 SHBG (0.46) SHBGEPHX1TP53ALDH1A1NPSR1
SCHEMBL6968801 0.79 SHBG (0.43) SHBGEPHX1KDM4E
SCHEMBL6976069 0.78 CA12 (0.42) SHBGEPHX1TP53KDM4E
SCHEMBL1864078 0.76 SHBG (0.54) SHBGEPHX1TP53ALDH1A1KDM4E
SCHEMBL26404681 0.76 SHBG (0.54) SHBGEPHX1TP53ALDH1A1KDM4E
SCHEMBL6973956 0.75 CA12 (0.39) SHBGEPHX1TP53ALDH1A1NPSR1
SCHEMBL6976250 0.73 SHBG (0.30) SHBG

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