SCHEMBL1900161

SCHEMBL1900161

C=COC(=O)c1ccccc1CCOCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 2/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL985791 0.88 THRA (0.48) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL1899456 0.85 HPGD (0.41) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL17530462 0.80 FOLH1 (0.51) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL9251505 0.80 CYP3A4 (0.44) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL1898068 0.80 TSHR (0.47) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL8954925 0.79 TSHR (0.76) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL1896570 0.77 ALDH1A1 (0.44) TSHRCYP3A4ALDH1A1HSD17B10LMNA
SCHEMBL1901143 0.76 KMT2A (0.42) TSHRTDP1L3MBTL1CYP3A4ALDH1A1
SCHEMBL7576211 0.76 ALDH1A1 (0.68) TSHRCYP3A4ALDH1A1HSD17B10LMNA
SCHEMBL1896070 0.76 ALDH1A1 (0.43) TSHRL3MBTL1CYP3A4ALDH1A1HSD17B10

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-20110101503-A1 HYPERBRANCHED POLYMER SYNTHESIZING METHOD, HYPERBRANCHED POLYMER, RESIST COMPOSITION, SEMICONDUCTOR INTEGRATED CIRCUIT, AND SEMICONDUCTOR INTEGRATED CIRCUIT FABRICATION METHOD LION CORPORATION (JP) 2011-05-05 US disclosed