SCHEMBL8993612

SCHEMBL8993612

CCOC(=O)CCC(=O)OS(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
GAA P10253 3/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 5/20 0.43
TRPA1 O75762 1/20 0.43
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.41
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE4D Q08499 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 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
SCHEMBL27400775 0.98 CYP1A2 (0.45) CYP1A2GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL28738178 0.84 GAA (0.52) CYP1A2GAAMGAMSIMGAM2
SCHEMBL362989 0.83 TSHR (0.38) TSHRCA12CA2CA14TDP1
SCHEMBL28365491 0.81 TSHR (0.36) TSHRCA12CA2CA14TDP1
SCHEMBL28485977 0.81 TSHR (0.36) TSHRCA12CA2CA14TDP1
Ammonia Solution, Strong SCHEMBL11776045 0.81 TSHR (0.36) TSHRCA12CA2CA14TDP1
SCHEMBL2521502 0.81 TSHR (0.36) TSHRCA12CA2CA14TDP1
Ammonia Solution, Strong SCHEMBL27570613 0.81 TSHR (0.36) TSHRCA12CA2CA14TDP1
SCHEMBL11763685 0.81 TSHR (0.36) TSHRCA12CA2CA14TDP1
SCHEMBL27449069 0.81 TSHR (0.36) TSHRCA12CA2CA14TDP1

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
US-5482643-A MILDNESS LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-01-09 US disclosed