SCHEMBL6207086

SCHEMBL6207086

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
GSTO1 P78417 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 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
SCHEMBL6207594 0.86 L3MBTL1 (0.33) L3MBTL1TSHRALDH1A1NPSR1KDM4E
SCHEMBL6205322 0.84 TSHR (0.34) L3MBTL1TSHRGSTO1
SCHEMBL29009658 0.82 L3MBTL1 (0.38) L3MBTL1TSHRGSTO1ALDH1A1NPSR1
SCHEMBL20297003 0.82 L3MBTL1 (0.35) L3MBTL1TSHRGSTO1CTSSCTSK
SCHEMBL8320869 0.81 TSHR (0.35) L3MBTL1TSHRALDH1A1KDM4EMEN1
SCHEMBL28038900 0.78 CYP3A4 (0.43) L3MBTL1TSHRGSTO1ALDH1A1NPSR1
SCHEMBL23217979 0.77 ALDH1A1 (0.40) L3MBTL1TSHRGSTO1CTSSCTSK
SCHEMBL28859253 0.77 L3MBTL1 (0.36) L3MBTL1TSHRGSTO1ALDH1A1NPSR1
SCHEMBL6324123 0.74 L3MBTL1 (0.40) L3MBTL1ALDH1A1NPSR1KDM4EHPGD
SCHEMBL16141841 0.74 L3MBTL1 (0.38) L3MBTL1TSHRNPSR1POLB

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