SCHEMBL6463807

SCHEMBL6463807

C=CC(=O)OCC(O)COc1ccc(C=O)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.53
ALDH1A1 P00352 8/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
KDM4E B2RXH2 4/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2C9 P11712 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 2/20 0.49
CYP1A2 P05177 2/20 0.48
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 2/20 0.48

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
SCHEMBL10693948 0.87 FDPS (0.69) FDPSALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL6466871 0.85 FDPS (0.52) FDPSALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL19164288 0.84 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL21023621 0.83 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL18492347 0.82 LMNA (0.70) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL28437357 0.81 FDPS (0.63) FDPSALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL19771207 0.79 FDPS (0.57) FDPSALDH1A1SMN1; SMN2KDM4EMAPT
Hydrochloric Acid SCHEMBL11270564 0.79 FDPS (0.60) FDPSALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL24529729 0.76 ALDH1A1 (0.64) FDPSALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL9133548 0.76 FDPS (0.61) FDPSALDH1A1SMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050112182-A1 Medical adhesive and medical covering agent using ultraviolet ray curable chitosan derivative NITTO DENKO CORPORATION (33)% (JP) 2005-05-26 US disclosed
JP-2000109501-A PRODUCTION OF N-ALKYLCHITOSAN DERIVATIVE, N- ALKYLCHITOSAN DERIVATIVE AND POLYMER USING THE SAME DAISHIN KAGAKU KK 2000-04-18 JP disclosed