SCHEMBL7367996

SCHEMBL7367996

C=C(Cc1ccc(-c2ccccc2)cc1)C(=O)OCC

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
ABCC4 O15439 1/20 0.51
TSHR P16473 1/20 0.51
PTGS1 P23219 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DHODH Q02127 1/20 0.44
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL394740 0.90 ALDH1A1 (0.56) TSHRALDH1A1MAPTMEN1KMT2A
Dimethylamine SCHEMBL28428235 0.86 ALDH1A1 (0.51) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL1764151 0.84 ALDH1A1 (0.53) LMNAGAAABCC4TSHRPTGS1
SCHEMBL28835498 0.84 LMNA (0.55) LMNAGAAABCC4TSHRPTGS1
SCHEMBL7696584 0.83 KMT2A (0.50) LMNAGAAHTTALDH1A1MAPT
SCHEMBL5803357 0.82 CA2 (0.49) LMNAGAATSHRALDH1A1MAPT
Dimethylamine SCHEMBL4648966 0.81 ALDH1A1 (0.51) LMNAGAAHTTALDH1A1MAPT
SCHEMBL5300752 0.81 ALOX5 (0.61) LMNAALDH1A1L3MBTL1
SCHEMBL6925456 0.81 KMT2A (0.51) LMNAGAAALDH1A1MAPTMEN1
SCHEMBL8910636 0.81 MAPT (0.51) LMNAGAAALDH1A1MAPTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110194731-B Mercaptopropionic acid amide compound, preparation method and medicinal application thereof 复旦大学 2021-05-04 CN disclosed
EP-0117429-B1 PHOSPHOROUS CONTAINING COMPOUNDS AS INHIBITORS OF ENKEPHALINASES SCHERING CORPORATION (US) 1987-09-02 EP disclosed
EP-0117429-A1 Phosphorous containing compounds as inhibitors of enkephalinases SCHERING CORPORATION (US) 1984-09-05 EP disclosed