SCHEMBL879453

SCHEMBL879453

O=C(NCC12CC3CC(CC(C3)C1)C2)C(C(F)F)(C(F)(F)F)S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TSHR P16473 1/20 0.45
EPHX2 P34913 8/20 0.44
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
CA2 P00918 1/20 0.39
P2RX7 Q99572 3/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL10248822 0.82 ALDH1A1 (0.43) ALDH1A1TSHREPHX2HSD17B10L3MBTL1
SCHEMBL10248819 0.81 ALDH1A1 (0.50) ALDH1A1TSHREPHX2HSD17B10L3MBTL1
SCHEMBL2634441 0.80 ALDH1A1 (0.53) ALDH1A1TSHREPHX2HSD17B10L3MBTL1
SCHEMBL16301150 0.75 ALDH1A1 (0.50) ALDH1A1TSHREPHX2HSD17B10L3MBTL1
SCHEMBL6384681 0.75 ALDH1A1 (0.61) ALDH1A1TSHREPHX2HSD17B10L3MBTL1
SCHEMBL10248355 0.73 ALDH1A1 (0.51) ALDH1A1TSHREPHX2HSD17B10CA2
SCHEMBL10284324 0.73 ALDH1A1 (0.51) ALDH1A1TSHREPHX2HSD17B10L3MBTL1
SCHEMBL10248081 0.72 ALDH1A1 (0.58) ALDH1A1TSHREPHX2HSD17B10L3MBTL1
SCHEMBL15858506 0.72 ALDH1A1 (0.53) ALDH1A1TSHREPHX2HSD17B10CA2
SCHEMBL20672013 0.71 EPHX2 (0.44) ALDH1A1TSHREPHX2HSD17B10L3MBTL1

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
EP-2434343-A1 Resist composition, resist film therefrom and method of forming pattern therewith Fujifilm Corporation (JP) 2012-03-28 EP disclosed