SCHEMBL18922947

SCHEMBL18922947

CC(OC(=O)C(F)(F)S(=O)(=O)O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MMP2 P08253 2/20 0.32
CA9 Q16790 2/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.31
DPP4 P27487 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSH P09668 1/20 0.30
CTSK P43235 1/20 0.30
NPC1 O15118 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
SCHEMBL18923007 0.83 MMP1 (0.32) ALDH1A1L3MBTL1MMP2
SCHEMBL4403072 0.79 ALDH1A1 (0.44) ALDH1A1L3MBTL1TSHR
SCHEMBL13049473 0.76 EPHX1 (0.33) EPHX1PDK1PDK2PDK3PDK4
SCHEMBL29233669 0.75 ALOX5 (0.32) TSHR
SCHEMBL26357519 0.73 NPC1 (0.36) EPHX1CA12CA1CA2MMP2
SCHEMBL26357502 0.73 NPC1 (0.36) EPHX1CA12CA1CA2MMP2
SCHEMBL18785946 0.73 CYP19A1 (0.40) EPHX1ALDH1A1L3MBTL1CA12CA1
SCHEMBL107383 0.73 CYP19A1 (0.40) EPHX1ALDH1A1L3MBTL1CA12CA1
SCHEMBL686576 0.73 CYP19A1 (0.40) EPHX1ALDH1A1L3MBTL1CA12CA1
SCHEMBL18785944 0.73 CYP19A1 (0.40) EPHX1ALDH1A1L3MBTL1CA12CA1

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-9671693-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-06 US disclosed