SCHEMBL30459970

SCHEMBL30459970

CCOC(=O)CC(C(=O)O)P(=O)(OCC)OCC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
TSHR P16473 3/20 0.49
CYP3A4 P08684 3/20 0.41
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
POLB P06746 2/20 0.38
CHRM1 P11229 1/20 0.37
ADORA1 P30542 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TRPA1 O75762 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 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
SCHEMBL9461450 0.87 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL11690303 0.86 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL17397291 0.86 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL14561060 0.83 POLB (0.41) TSHRCYP3A4TDP1GAAPOLB
SCHEMBL5404296 0.81 GAA (0.36) ALDH1A1TSHRCYP3A4GAAPOLB
SCHEMBL25801646 0.80 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL8598579 0.79 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL11801523 0.79 POLB (0.43) TSHRCYP3A4TDP1GAAPOLB
SCHEMBL262483 0.79 POLB (0.43) TSHRCYP3A4TDP1GAAPOLB
SCHEMBL11744826 0.77 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4ALOX15TDP1

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-4192821-A1 ALPHA,BETA UNSATURATED METHACRYLIC ESTERS WITH ANTI-INFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2023-06-14 EP disclosed