SCHEMBL775403

SCHEMBL775403

C=CC(=O)OCC(=O)N1C(=O)CCC1OC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.33
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 3/20 0.31
ALDH1A1 P00352 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
CASP6 P55212 1/20 0.30
ACE P12821 2/20 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
SCHEMBL775283 0.88 F2 (0.32) TSHR
SCHEMBL774864 0.87 TSHR (0.33) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL774855 0.82 F2 (0.31) TSHR
SCHEMBL775156 0.81 CYP2D6 (0.31)
SCHEMBL775293 0.81 ALDH1A1 (0.39) TSHRTDP1ALDH1A1CYP3A4L3MBTL1
SCHEMBL12764298 0.79 NPC1 (0.32) ACE
SCHEMBL775031 0.77 F2 (0.35) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9916010 0.75 TSHR (0.33) TSHRHPGD
SCHEMBL775154 0.73 F2 (0.34) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL775271 0.73 TDP1 (0.41) TSHRTDP1ALDH1A1TP53HIF1A

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