SCHEMBL28407232

SCHEMBL28407232

CC(C)CCOC(=O)c1cc(C(=O)OCCC(C)C)c(C(=O)O)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
PKM P14618 2/20 0.50
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRB2 P47870 1/20 0.45
TSHR P16473 1/20 0.41
CYP19A1 P11511 1/20 0.41
PPARG P37231 1/20 0.40
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL20695629 0.93 ALDH1A1 (0.56) ALDH1A1PKMKDM4EKMT2AGAA
SCHEMBL28561358 0.88 ALDH1A1 (0.47) ALDH1A1PKMKDM4EKMT2AGAA
SCHEMBL828840 0.87 RARB (0.44) ALDH1A1PKMKDM4EKMT2AGAA
SCHEMBL827992 0.87 RARB (0.44) ALDH1A1PKMKDM4EKMT2AGAA
SCHEMBL829165 0.87 RARB (0.44) ALDH1A1PKMKDM4EKMT2AGAA
SCHEMBL828785 0.87 RARB (0.44) ALDH1A1PKMKDM4EKMT2AGAA
SCHEMBL4823377 0.87 RARB (0.44) ALDH1A1PKMKDM4EKMT2AGAA
SCHEMBL14989201 0.87 RARB (0.44) ALDH1A1PKMKDM4EKMT2AGAA
SCHEMBL828641 0.87 RARB (0.44) ALDH1A1PKMKDM4EKMT2AGAA
SCHEMBL828793 0.87 RARB (0.44) ALDH1A1PKMKDM4EKMT2AGAA

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
CN-111217999-B Environment-friendly preparation method of flexible polyimide heat insulation foam and product 哈尔滨工程大学 2022-07-26 CN disclosed
CN-111217999-A Environment-friendly preparation method and product of flexible polyimide heat insulation foam 哈尔滨工程大学 2020-06-02 CN disclosed