SCHEMBL22461378

SCHEMBL22461378

CC(C)c1ccc(CCSCCC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ USP5 P45974 1/20 0.50
▸ CYSLTR2 Q9NS75 2/20 0.49
▸ CYSLTR1 Q9Y271 2/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ FFAR1 O14842 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ MMP12 P39900 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ FKBP1A P62942 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ KEAP1 Q14145 1/20 0.43

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
SCHEMBL879572 0.83 ALDH1A1 (0.59) ALDH1A1L3MBTL1USP5RAB9ALMNA
SCHEMBL951875 0.81 USP2 (0.54) ALDH1A1CYP2C19LMNAKMT2AHSD17B10
SCHEMBL13870215 0.81 FFAR1 (0.56) ALDH1A1L3MBTL1CYP2C19LMNAKMT2A
SCHEMBL9260063 0.81 CYP2C19 (0.71) ALDH1A1CYSLTR2CYSLTR1CYP2C19LMNA
SCHEMBL765932 0.80 HSD17B10 (0.61) ALDH1A1L3MBTL1USP5CYSLTR2CYSLTR1
SCHEMBL25226845 0.78 FFAR1 (0.56) ALDH1A1CYP2C19LMNAKMT2AHSD17B10
SCHEMBL13778182 0.77 NR1H4 (0.54) RAB9ACYP2C19LMNAKMT2AHSD17B10
SCHEMBL10202699 0.77 MAPT (0.62) ALDH1A1L3MBTL1USP5CYSLTR2CYSLTR1
SCHEMBL18472594 0.75 MMP12 (0.49) ALDH1A1L3MBTL1USP5CYSLTR2CYSLTR1
SCHEMBL11887772 0.75 CYP2C19 (0.56) ALDH1A1CYP2C19LMNAKMT2AHSD17B10

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-20200303772-A1 ALL SOLID-STATE SECONDARY BATTERY, ELECTRODE SHEET FOR BATTERY, METHOD FOR MANUFACTURING ELECTRODE SHEET FOR BATTERY, SOLID ELECTROLYTE COMPOSITION, METHOD FOR PRODUCING SOLID ELECTROLYTE COMPOSITION, AND METHOD FOR MANUFACTURING ALL SOLID-STATE SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2020-09-24 — — US disclosed
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