SCHEMBL774836

SCHEMBL774836

C=CC(=O)OCC(=O)N1C(=O)C2CCCC21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
TSHR P16473 5/20 0.32
ALDH1A1 P00352 4/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
F2 P00734 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RECQL P46063 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
SCHEMBL9915989 0.96 HTT (0.36) HTTTSHRALDH1A1TP53HIF1A
SCHEMBL775043 0.85 HTT (0.31) HTTF2
SCHEMBL774995 0.79 ALDH1A1 (0.36) HTTTSHRALDH1A1TP53CYP3A4
SCHEMBL9916147 0.78 HTT (0.35) HTTALDH1A1TP53F2L3MBTL1
SCHEMBL9915987 0.76 HTT (0.36) HTTTSHRALDH1A1TP53CYP3A4
SCHEMBL775292 0.76 F2 (0.34) F2
SCHEMBL9915990 0.75 HTT (0.35) HTTTSHRALDH1A1TP53CYP3A4
SCHEMBL9915991 0.75 HTT (0.35) HTTTSHRALDH1A1TP53CYP3A4
SCHEMBL9915933 0.75 SRC (0.31)
SCHEMBL776629 0.74 HMGCR (0.34) HTTALDH1A1F2RECQL

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