SCHEMBL10936503

SCHEMBL10936503

CCOC(=O)ON(C)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
SOAT1 P35610 1/20 0.48
KMT2A Q03164 3/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
MEN1 O00255 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TRPA1 O75762 1/20 0.34
CYP2C9 P11712 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2230421 0.82 ALDH1A1 (0.50) ALDH1A1SOAT1KMT2AHPGDLMNA
SCHEMBL10699137 0.79 ALDH1A1 (0.55) ALDH1A1SOAT1KMT2AHPGDLMNA
SCHEMBL6139814 0.78
SCHEMBL27580489 0.77 TSHR (0.42) ALDH1A1KMT2AHPGDLMNAHSD17B10
SCHEMBL872502 0.76
SCHEMBL3228295 0.76 ALDH1A1 (0.43) ALDH1A1SOAT1KMT2AHPGDLMNA
SCHEMBL12546805 0.76 ALDH1A1 (0.50) ALDH1A1SOAT1KMT2AHPGDLMNA
SCHEMBL20165521 0.75 ALDH1A1 (0.39) ALDH1A1SOAT1KMT2AHPGDLMNA
Trimethylammonium SCHEMBL9700732 0.75 ALDH1A1 (0.81) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL28333269 0.74 ALDH1A1 (0.45) ALDH1A1KMT2AHPGDHSD17B10ALOX15

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
EP-0056674-B1 PROCESS FOR CROSS-LINKING POLYMERS AKZO N.V. (NL) 1985-05-29 EP disclosed
US-4409367-A Process for cross-linking polymers AKZONA INCORPORATED (US) 1983-10-11 US disclosed