SCHEMBL7962044

SCHEMBL7962044

c1ccc2c(OCC3CO3)c[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
GLA P06280 1/20 0.53
TDP1 Q9NUW8 2/20 0.49
DRD4 P21917 3/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
CYP3A4 P08684 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC22A6 Q4U2R8 2/20 0.43
ATM Q13315 2/20 0.43
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
AHR P35869 1/20 0.40

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
SCHEMBL11667454 0.84 DRD4 (0.49) ALDH1A1DRD4DRD2DRD3TSHR
SCHEMBL10608226 0.82 ALDH1A1 (0.50) ALDH1A1GLATDP1DRD4DRD2
SCHEMBL1499352 0.80 ALDH1A1 (0.51) ALDH1A1GLADRD4DRD2DRD3
SCHEMBL29989447 0.80 ALDH1A1 (0.51) ALDH1A1GLADRD4DRD2DRD3
SCHEMBL5756503 0.80 ALDH1A1 (0.51) ALDH1A1GLADRD4DRD2DRD3
SCHEMBL7884121 0.80 ALDH1A1 (0.51) ALDH1A1GLADRD4DRD2DRD3
SCHEMBL1715947 0.78 ALDH1A1 (0.65) ALDH1A1GLATDP1CYP3A4TP53
SCHEMBL19859437 0.78 ALDH1A1 (0.65) ALDH1A1GLATDP1CYP3A4TP53
SCHEMBL29417583 0.78 ALDH1A1 (0.65) ALDH1A1GLATDP1CYP3A4TP53
SCHEMBL22357196 0.75 ALDH1A1 (0.78) ALDH1A1GLATDP1DRD4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113248738-B Two-dimensional material modified epoxy resin composite material and preparation method thereof 西南科技大学 2022-07-01 CN claimed
CN-113248738-A Two-dimensional material modified epoxy resin composite material and preparation method thereof 西南科技大学 2021-08-13 CN claimed
CN-103013945-A Epoxide hydrolase mutant as well as gene and application of epoxide hydrolase mutant UNIV EAST CHINA SCIENCE & TECH 2013-04-03 CN claimed
CN-113248738-B Two-dimensional material modified epoxy resin composite material and preparation method thereof 西南科技大学 2022-07-01 CN disclosed
CN-113248738-A Two-dimensional material modified epoxy resin composite material and preparation method thereof 西南科技大学 2021-08-13 CN disclosed
CN-103013945-B Epoxide hydrolase mutant as well as gene and application of epoxide hydrolase mutant UNIV EAST CHINA SCIENCE & TECH 2014-06-11 CN disclosed
CN-103013945-A Epoxide hydrolase mutant as well as gene and application of epoxide hydrolase mutant UNIV EAST CHINA SCIENCE & TECH 2013-04-03 CN disclosed
US-6310066-B1 1-(4-CHLORO-PHENOXY)-3-(4-(1H-INDOL-4-YL)-PIPERAZIN-1-YL)-PROPAN-2-OL FOR EXAMPLE AMERICAN HOME PRODUCTS CORP. 2001-10-30 US disclosed