SCHEMBL11545787

SCHEMBL11545787

CCOC(=O)C1OC(C(=O)OCC)C(C(=O)OCC)OC1C(=O)OCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
PPM1B O75688 1/20 0.47
PTPN1 P18031 1/20 0.47
PPP1CC P36873 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.45
CTSL P07711 2/20 0.45
CAPN1 P07384 2/20 0.45
CTSB P07858 1/20 0.45
CTSG P08311 1/20 0.45
HSD17B10 Q99714 1/20 0.43
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
TRPA1 O75762 1/20 0.39
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL2387697 1.00 TSHR (0.55) TSHRPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL2387688 1.00 TSHR (0.55) TSHRPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL5317413 1.00 TSHR (0.55) TSHRPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL2387693 1.00 TSHR (0.55) TSHRPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL5556039 0.97 TSHR (0.53) TSHRPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL12831369 0.91 TSHR (0.49) TSHRPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL12635439 0.91 TSHR (0.49) TSHRPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL29234725 0.91 TSHR (0.53) TSHRPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL1238213 0.91 TSHR (0.53) TSHRPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL1806931 0.91 TSHR (0.53) TSHRPPM1BPTPN1PPP1CCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4158635-A Detergent formulations containing tetrahydropyran or 1,4-dioxane polycarboxylates and method for using same MONSANTO COMPANY (US) 1979-06-19 US disclosed
US-4134902-A DETERGENT BUILDERS, CALCIUM AND MAGNESIUM SEQUESTRANTS, SCALE DISSOLVERS MONSANTO COMPANY (US) 1979-01-16 US disclosed
US-4102903-A DETERGENTS BUILDERS, SEQUESTERING AGENTS MONSANTO COMPANY (US) 1978-07-25 US disclosed