SCHEMBL29989447

SCHEMBL29989447

c1cc(OCC2CO2)c2cc[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
GLA P06280 2/20 0.51
HTR1A P08908 14/20 0.50
HTR1B P28222 2/20 0.48
MEN1 O00255 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
CYP3A4 P08684 3/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
DRD2 P14416 1/20 0.46
ADRB2 P07550 3/20 0.45
ADRB1 P08588 3/20 0.45
CYP1A2 P05177 2/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL1499352 1.00 ALDH1A1 (0.51) ALDH1A1GLAHTR1AHTR1BMEN1
SCHEMBL5756503 1.00 ALDH1A1 (0.51) ALDH1A1GLAHTR1AHTR1BMEN1
SCHEMBL7884121 1.00 ALDH1A1 (0.51) ALDH1A1GLAHTR1AHTR1BMEN1
Ethyl Acetate SCHEMBL11383858 0.86 ALDH1A1 (0.45) ALDH1A1GLAHTR1AHTR1BMEN1
SCHEMBL7876324 0.85 HTR1A (0.54) HTR1AHTR1BMEN1MAPK1KMT2A
SCHEMBL9449978 0.85 ALDH1A1 (0.47) ALDH1A1GLAHTR1AHTR1BMEN1
SCHEMBL19089581 0.85 HTR1A (0.54) ALDH1A1GLAHTR1AHTR1BMEN1
SCHEMBL10731475 0.84 ALDH1A1 (0.46) ALDH1A1GLAHTR1AHTR1BMEN1
SCHEMBL10731481 0.84 ALDH1A1 (0.46) ALDH1A1GLAHTR1AHTR1BMEN1
SCHEMBL10566130 0.83 ALDH1A1 (0.45) ALDH1A1GLAHTR1AHTR1BMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114044834-B Polylactic acid fiber and application thereof in adult incontinence nursing pad 千芝雅(湖北)卫生用品有限公司 2022-10-14 CN claimed
CN-119013320-A High MFR polypropylene for melt blown nonwoven applications 格雷斯公司 2024-11-22 CN disclosed
CN-114044834-B Polylactic acid fiber and application thereof in adult incontinence nursing pad 千芝雅(湖北)卫生用品有限公司 2022-10-14 CN disclosed
CN-114044834-B Polylactic acid fiber and application thereof in adult incontinence nursing pad 千芝雅(湖北)卫生用品有限公司 2022-10-14 CN disclosed