SCHEMBL9791992

SCHEMBL9791992

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.37
MLYCD O95822 1/20 0.36
HPGD P15428 3/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NAMPT P43490 1/20 0.34
PDK2 Q15119 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
MAPK14 Q16539 1/20 0.34
ROCK2 O75116 1/20 0.33
ACACB O00763 1/20 0.33
ACLY P53396 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL9791983 0.96 HPGD (0.39) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL9792026 0.90 HPGD (0.35) HPGDSMN1; SMN2HTT
SCHEMBL9792091 0.88 OPRD1 (0.35) LMNAHPGDPDK2MAPK14ACACB
SCHEMBL8555860 0.86 NPC1 (0.37) ALDH1A1LMNAHPGDGAAATM
SCHEMBL9792031 0.86 USP7 (0.34) HPGDSMN1; SMN2HTT
SCHEMBL9792013 0.86 USP7 (0.34) HPGDSMN1; SMN2HTT
SCHEMBL9791860 0.86 KDM4E (0.38) ALDH1A1LMNAHPGDL3MBTL1NAMPT
SCHEMBL9792022 0.86 HTT (0.34) ALDH1A1LMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL9791996 0.86 PLK1 (0.33) HPGDSMN1; SMN2PDK2HTT
SCHEMBL9796136 0.86 PLK1 (0.33) HPGDSMN1; SMN2PDK2HTT

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