SCHEMBL8158162

SCHEMBL8158162

C=CC(O)C(O)C=CC(COC(C)=O)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.31

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
SCHEMBL93558 0.84 TDP1 (0.48) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL93559 0.84 TDP1 (0.48) USP2CYP3A4MAPTSMN1; SMN2LMNA
Acrylic Acid SCHEMBL6908863 0.77 TDP1 (0.43) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL26108607 0.75 TDP1 (0.41) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL10948272 0.74 TDP1 (0.47) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL10948262 0.74 TDP1 (0.47) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL6908867 0.72 TSHR (0.41) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL28104973 0.72 TDP1 (0.39) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL10954857 0.72 TDP1 (0.44) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL10954863 0.72 TDP1 (0.44) USP2CYP3A4MAPTSMN1; SMN2LMNA

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
JP-2000355572-A PRODUCTION OF ALLYL COMPOUND MITSUBISHI CHEMICALS CORP 2000-12-26 JP disclosed