SCHEMBL3876427

SCHEMBL3876427

C[C@@H](C(=O)Oc1ccccc1)N(Cl)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.49
▸ ATM Q13315 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ GAA P10253 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TDP1 Q9NUW8 3/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ CYP2C19 P33261 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
SCHEMBL2777609 0.83 ELANE (0.50) ELANEATML3MBTL1GAAMEN1
SCHEMBL2231429 0.83 ATM (0.50) ELANEATML3MBTL1GAAMEN1
SCHEMBL21276510 0.79 ELANE (0.53) ELANEATML3MBTL1GAAMEN1
SCHEMBL9485663 0.79 ELANE (0.53) ELANEATML3MBTL1GAAMEN1
SCHEMBL514357 0.78 ELANE (0.72) ELANEATML3MBTL1GAAMEN1
SCHEMBL2459478 0.78 ELANE (0.56) ELANEATML3MBTL1GAAMEN1
SCHEMBL29187166 0.78 ELANE (0.72) ELANEATML3MBTL1GAAMEN1
SCHEMBL26918592 0.77 ATM (0.45) ELANEATML3MBTL1GAAMEN1
SCHEMBL27702601 0.77 ELANE (0.66) ELANEATML3MBTL1GAAMEN1
SCHEMBL16672919 0.77 GAA (0.55) ELANEATML3MBTL1GAAMEN1

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
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 — — EP disclosed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 — — WO disclosed
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