SCHEMBL28470451

SCHEMBL28470451

C=CC(=O)OCC(OC(C)=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TSHR P16473 2/20 0.45
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
HCAR2 Q8TDS4 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL732624 0.89 THRB (0.47) TSHRTHRBALDH1A1CYP3A4HCAR2
SCHEMBL19781422 0.88 THRB (0.41) PABPC1APOBEC3AAPOBEC3GTSHRTHRB
SCHEMBL22667465 0.86 TSHR (0.42) TSHRTHRBHCAR2CYP1A2CYP2D6
SCHEMBL4285363 0.84 PABPC1 (0.52) PABPC1APOBEC3AAPOBEC3GTSHRALDH1A1
SCHEMBL27983309 0.81 CYP2C19 (0.53) PABPC1APOBEC3AAPOBEC3GTSHRALDH1A1
SCHEMBL12143882 0.81 CYP2C19 (0.53) PABPC1APOBEC3AAPOBEC3GTSHRALDH1A1
SCHEMBL22436286 0.81 CYP2C19 (0.53) PABPC1APOBEC3AAPOBEC3GTSHRALDH1A1
SCHEMBL19817555 0.81 CYP1A2 (0.53) TSHRTHRBALDH1A1CYP3A4HCAR2
SCHEMBL1395964 0.81 THRB (0.53) TSHRTHRBCYP1A2CYP2D6PKM
SCHEMBL942086 0.79 THRB (0.44) TSHRTHRBALDH1A1CYP3A4CYP1A2

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
CN-111808475-A Aqueous ink composition for inkjet printing on non-porous substrates 施乐公司 2020-10-23 CN disclosed