SCHEMBL9792016

SCHEMBL9792016

CNC(=O)c1ccc(C2C(O)[C@@]3(O)C(c4ccc(C(=O)N(C)C)cc4)[C@@](O)([C@H](O)CO)[C@@]23O)cc1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
PLK1 P53350 4/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL9792042 1.00 EPHX2 (0.31) EPHX2NR1H4PLK1HPGDSMN1; SMN2
SCHEMBL9792026 0.93 HPGD (0.35) PLK1HPGDSMN1; SMN2TSHRHTT
SCHEMBL9791975 0.93 ALDH1A1 (0.35) HPGDSMN1; SMN2ALDH1A1
SCHEMBL9792022 0.89 HTT (0.34) EPHX2PLK1HPGDSMN1; SMN2ALDH1A1
SCHEMBL9791969 0.89 MMP13 (0.40) PLK1HPGDSMN1; SMN2ALDH1A1TSHR
SCHEMBL9796136 0.89 PLK1 (0.33) PLK1HPGDSMN1; SMN2TSHRHTT
SCHEMBL9792031 0.89 USP7 (0.34) PLK1HPGDSMN1; SMN2TSHRHTT
SCHEMBL9792013 0.89 USP7 (0.34) PLK1HPGDSMN1; SMN2TSHRHTT
SCHEMBL9791996 0.89 PLK1 (0.33) PLK1HPGDSMN1; SMN2TSHRHTT
SCHEMBL9791906 0.88 PLK1 (0.32) PLK1HPGDSMN1; SMN2TSHRHTT

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
US-4996334-A Dibenzylidenesorbitols for gelatinizing oils and liquids, increasing transparency and rigidity in resins, improving viscosity of coatings and stabilizing emulsions MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-02-26 US disclosed