SCHEMBL4757626

SCHEMBL4757626

CC(C)COC(=O)C1CC=CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.40
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR2 Q92731 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 3/20 0.35
RAB9A P51151 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL22036029 0.89 MIF (0.37) MIFALDH1A1MEN1MAPTALOX15
SCHEMBL13265129 0.89 MIF (0.39) MIFALDH1A1MEN1MAPTALOX15
SCHEMBL25988750 0.87 MIF (0.38) MIFALDH1A1MEN1MAPTALOX15
SCHEMBL11450611 0.84 TDP1 (0.36) MIFALDH1A1MAPTALOX15TSHR
SCHEMBL7904270 0.84 MIF (0.34) MIFALDH1A1MEN1MAPTALOX15
SCHEMBL13649853 0.84 PPARG (0.40) MIFALDH1A1MEN1MAPTALOX15
SCHEMBL1169433 0.82 GAA (0.36) ALDH1A1MEN1HTTKMT2ATSHR
SCHEMBL7694728 0.82 MIF (0.39) MIFALDH1A1MEN1MAPTALOX15
SCHEMBL29084231 0.81 MAPT (0.44) MIFALDH1A1MEN1MAPTALOX15
SCHEMBL25648750 0.81 MAPT (0.44) MIFALDH1A1MEN1MAPTALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119639716-A Cyclohexenecarboxylesterase, mutant and application thereof in production of (S) -3-cyclohexene-1-carboxylic acid 浙江工业大学 2025-03-18 CN disclosed
US-7514204-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-04-07 US disclosed
US-20090011365-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-01-08 US disclosed
WO-2008106334-A2 FLAME RETARDED STYRENIC POLYMER FOAMS AND FOAM PRECURSORS ALBEMARLE CORPORATION (US) 2008-09-04 WO disclosed
US-20080096131-A1 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2008-04-24 US disclosed