SCHEMBL28967705

SCHEMBL28967705

C=C(C)C(=O)OCC(O)(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.41
ELANE P08246 1/20 0.41
POLB P06746 3/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 3/20 0.38
HIF1A Q16665 2/20 0.37
CYP2C19 P33261 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
THRB P10828 1/20 0.36
CHRM4 P08173 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL18051630 0.85 CYP2C19 (0.40) KCNN4ELANEPOLBAPEX1HTT
SCHEMBL8850502 0.85 ELANE (0.41) KCNN4ELANEPOLBAPEX1HTT
SCHEMBL8850852 0.83 HIF1A (0.49) KCNN4ELANEPOLBAPEX1HTT
SCHEMBL27612149 0.83 HIF1A (0.41) KCNN4ELANEPOLBAPEX1HTT
SCHEMBL19820877 0.83 GRIN2D (0.41) KCNN4ELANEPOLBAPEX1HTT
SCHEMBL8850755 0.81 ALDH1A1 (0.40) KCNN4ELANEPOLBAPEX1HTT
SCHEMBL8850991 0.80 TSHR (0.42) KCNN4ELANEPOLBAPEX1HTT
SCHEMBL238398 0.80 ELANE (0.38) KCNN4ELANEPOLBAPEX1HTT
SCHEMBL8850640 0.78 SCN1A (0.40) KCNN4ELANEPOLBAPEX1HTT
SCHEMBL27977815 0.78 ALDH1A1 (0.47) KCNN4ELANEHTTALDH1A1MAPT

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-110088209-B Layered substance-containing liquid and method for producing same 株式会社ADEKA 2023-01-31 CN disclosed