SCHEMBL29535540

SCHEMBL29535540

c1ccc2c(OCC3CO3)c(OCC3CO3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GLA P06280 1/20 0.53
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 3/20 0.44
TSHR P16473 3/20 0.44
HIF1A Q16665 2/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRA1A P35348 6/20 0.42
ADRA1D P25100 5/20 0.42
ADRA1B P35368 5/20 0.42
PDK1 Q15118 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL382088 1.00 ALDH1A1 (0.53) ALDH1A1GLATDP1TP53TSHR
SCHEMBL3956570 0.87 ALDH1A1 (0.47) ALDH1A1GLATDP1TP53TSHR
SCHEMBL4054274 0.87 ALDH1A1 (0.49) ALDH1A1GLATDP1TP53TSHR
SCHEMBL10010232 0.86 TDP1 (0.54) ALDH1A1GLATDP1TP53TSHR
SCHEMBL30026680 0.86 TDP1 (0.54) ALDH1A1GLATDP1TP53TSHR
SCHEMBL19317517 0.84 ALDH1A1 (0.43) ALDH1A1GLATDP1TP53TSHR
SCHEMBL28564253 0.83 ALDH1A1 (0.53) ALDH1A1GLATDP1TP53TSHR
SCHEMBL24591597 0.83 ALDH1A1 (0.51) ALDH1A1GLATDP1TP53TSHR
SCHEMBL8846986 0.83 ALDH1A1 (0.51) ALDH1A1GLATDP1TP53TSHR
SCHEMBL8840940 0.83 ALDH1A1 (0.51) ALDH1A1GLATDP1TP53TSHR

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-119137219-A Thermosetting resin composition and cured product 宝理塑料赢创有限公司 2024-12-13 CN disclosed
CN-117980415-A Thermosetting resin composition and thermosetting article 宝理塑料赢创有限公司 2024-05-03 CN disclosed
CN-114829505-B Molded body, precursor thereof, method for producing same, and use thereof 株式会社大赛璐 2024-05-03 CN disclosed
CN-109476851-B Polyamide particles, process for producing the same, resin composition thereof, and molded article 大赛璐赢创株式会社 2022-04-05 CN disclosed