SCHEMBL6205322

SCHEMBL6205322

C=CCN(C(=O)OC(C)(C)C)c1cccc(C=O)c1I

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GSTO1 P78417 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
SCHEMBL6207086 0.84 L3MBTL1 (0.33) TSHRL3MBTL1GSTO1
SCHEMBL29009658 0.81 L3MBTL1 (0.38) TSHRL3MBTL1GSTO1
SCHEMBL6207594 0.81 L3MBTL1 (0.33) TSHRL3MBTL1
SCHEMBL20297003 0.79 L3MBTL1 (0.35) TSHRL3MBTL1GSTO1
SCHEMBL28038900 0.77 CYP3A4 (0.43) TSHRL3MBTL1GSTO1
SCHEMBL23217979 0.76 ALDH1A1 (0.40) TSHRL3MBTL1GSTO1
SCHEMBL3221801 0.75 POLB (0.40) TSHRL3MBTL1GSTO1
SCHEMBL28859253 0.73 L3MBTL1 (0.36) TSHRL3MBTL1GSTO1
SCHEMBL15466723 0.72 SSTR4 (0.35) TSHRL3MBTL1GSTO1
SCHEMBL16831613 0.72 ALDH1A1 (0.40) TSHR

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-0938474-B1 CYCLOPROPYLINDOLE COMPOUNDS AND THEIR USE AS PRODRUGS AUCKLAND UNISERVICES LTD (NZ) 2005-11-23 EP disclosed
US-6130237-A Condensed N-aclyindoles as antitumor agents CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-10-10 US disclosed