SCHEMBL23969102

SCHEMBL23969102

CCC(C)COC(=O)OCC(C)CN

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.37
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
GPR88 Q9GZN0 1/20 0.33
SCN4A P35499 4/20 0.32
FFAR1 O14842 1/20 0.31
ALOX15 P16050 1/20 0.30
SOAT1 P35610 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
SCHEMBL25392616 0.89 MAPT (0.50) MAPTALDH1A1FFAR1ALOX15SOAT1
SCHEMBL1127763 0.89 MAPT (0.50) MAPTALDH1A1FFAR1ALOX15SOAT1
SCHEMBL5965030 0.88 MAPT (0.43) MAPTALDH1A1GPR88FFAR1ALOX15
Bicarbonate SCHEMBL28397287 0.85 MAPT (0.52) MAPTALDH1A1GPR88FFAR1SOAT1
SCHEMBL5724509 0.83 ALDH1A1 (0.59) MAPTALDH1A1FFAR1ALOX15SOAT1
SCHEMBL18924829 0.83 MAPT (0.46) MAPTALDH1A1FFAR1SOAT1
SCHEMBL27871158 0.81 MAPT (0.44) MAPTALDH1A1FFAR1SOAT1
SCHEMBL17173532 0.81 MAPT (0.44) MAPTALDH1A1GPR88FFAR1SOAT1
SCHEMBL696918 0.80 MAPT (0.47) MAPTALDH1A1FFAR1SOAT1
SCHEMBL14244980 0.80 SOAT1 (0.50) MAPTALDH1A1FFAR1SOAT1

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
EP-3904484-A1 METHOD FOR ENHANCED RECOVERY OF OIL, USING A POLYMER EMULSION Ecolab USA Inc. (US) 2021-11-03 EP disclosed