SCHEMBL28709667

SCHEMBL28709667

COC(=O)CCCCCCCCCCCCC(O)C(O)CCCCCCCCCCCC(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
PABPC1 P11940 1/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PPARG P37231 2/20 0.46
PPARA Q07869 1/20 0.43
PLA2G4A P47712 2/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 1/20 0.40

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
SCHEMBL31571161 0.92 L3MBTL1 (0.51) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL15964153 0.92 MEN1 (0.57) TSHRL3MBTL1LMNAKMT2AMEN1
SCHEMBL16867576 0.92 MEN1 (0.57) TSHRL3MBTL1LMNAKMT2AMEN1
SCHEMBL16942552 0.92 L3MBTL1 (0.55) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL20576630 0.92 L3MBTL1 (0.55) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL17690437 0.92 L3MBTL1 (0.51) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL17690438 0.92 MEN1 (0.57) TSHRL3MBTL1LMNAKMT2AMEN1
SCHEMBL1985687 0.92 MEN1 (0.57) TSHRL3MBTL1LMNAKMT2AMEN1
SCHEMBL15797982 0.92 L3MBTL1 (0.51) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL14733287 0.92 MEN1 (0.57) TSHRL3MBTL1LMNAKMT2AMEN1

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
CN-114096513-A Novel quaternary ammonium compounds 罗地亚经营管理公司 2022-02-25 CN disclosed