SCHEMBL6317561

SCHEMBL6317561

CC(C)COC(=O)C1C=CCCC1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
MAPT P10636 1/20 0.34
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 4/20 0.33
GAPDH P04406 1/20 0.32
HSPA1A P0DMV8 1/20 0.32
PTPN7 P35236 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL5084661 0.91 MAPT (0.36) RAB9AMAPTHSP90AA1HSP90AB1ALDH1A1
SCHEMBL9420520 0.86 MAPT (0.32) MAPT
SCHEMBL6324852 0.84 USP2 (0.44) MAPTALDH1A1TSHRUSP2ALOX15
SCHEMBL2200972 0.83 TSHR (0.37) MAPTTSHR
SCHEMBL1613930 0.83 TSHR (0.37) TSHR
SCHEMBL27216280 0.83 ESR1 (0.35) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL27216272 0.83 ESR1 (0.35) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL6323292 0.82 PPM1B (0.47) RAB9AMAPTALDH1A1NPC1CHRM2
SCHEMBL6318600 0.81 MAPT (0.36) MAPTALDH1A1HTTTDP1
SCHEMBL9410633 0.81 MAPT (0.33) MAPTALDH1A1USP2ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921830-B2 Method for purifying an organic solvent for the purposes of absorption of maleic acid anhydride BASF AKTIENGESELLSCHAFT (DE) 2005-07-26 US disclosed
US-20040127726-A1 Method for purifying an organic solvent for the purposes of absorption of maleic acid anhydride BASF AKTIENGESELLSCHAFT (DE) 2004-07-01 US disclosed