SCHEMBL775295

SCHEMBL775295

C=CC(=O)OCC(=O)N1C(=O)C2C3CC(C4CCCC43)C21

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL774877 0.83
SCHEMBL775280 0.83
SCHEMBL775041 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9915943 0.79
SCHEMBL785642 0.74 CTDSP1 (0.31) CTDSP1TDP1L3MBTL1
SCHEMBL774836 0.74 HTT (0.34) ALDH1A1CYP3A4TSHRCTDSP1TDP1
SCHEMBL775043 0.72 HTT (0.31)
SCHEMBL774991 0.71
SCHEMBL9915989 0.70 HTT (0.36) ALDH1A1CYP3A4TSHR
SCHEMBL9915940 0.70 MEN1 (0.30)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070778-A1 RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-22 US disclosed