SCHEMBL6207594

SCHEMBL6207594

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL6207086 0.86 L3MBTL1 (0.33) L3MBTL1KDM4EALDH1A1TSHRNPSR1
SCHEMBL6205322 0.81 TSHR (0.34) L3MBTL1TSHR
SCHEMBL29009658 0.78 L3MBTL1 (0.38) L3MBTL1KDM4EALDH1A1TSHRNPSR1
SCHEMBL20297003 0.76 L3MBTL1 (0.35) L3MBTL1KDM4EALDH1A1TSHRNPSR1
SCHEMBL28038900 0.74 CYP3A4 (0.43) L3MBTL1ALDH1A1TSHRNPSR1
SCHEMBL23217979 0.73 ALDH1A1 (0.40) L3MBTL1KDM4EALDH1A1TSHRNPSR1
SCHEMBL28859253 0.73 L3MBTL1 (0.36) L3MBTL1KDM4EALDH1A1TSHRNPSR1
SCHEMBL28752858 0.71 ALDH1A1 (0.42) L3MBTL1KDM4EHSD17B10ALDH1A1
SCHEMBL3221801 0.70 POLB (0.40) L3MBTL1KDM4EALDH1A1TSHR
SCHEMBL15466723 0.70 SSTR4 (0.35) L3MBTL1KDM4EALDH1A1TSHRNPSR1

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