SCHEMBL17993587

SCHEMBL17993587

O=C1C=C/C(=C\c2ccc(-c3ccccc3)cc2)N1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.44
▸ FAAH O00519 3/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ SIRT3 Q9NTG7 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ PTPN1 P18031 2/20 0.38
▸ NAT1 P18440 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ AKR1B1 P15121 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RET P07949 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.34
▸ CSNK2B P67870 1/20 0.34

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
SCHEMBL1908629 0.75 MGLL (0.64) MGLLFAAHPTPN1
SCHEMBL598742 0.75 MGLL (0.64) MGLLFAAHPTPN1
SCHEMBL21993642 0.62 MGLL (1.00) MGLLFAAHALDH1A1HSP90AA1PKM
SCHEMBL9719419 0.62 MGLL (1.00) MGLLFAAHALDH1A1HSP90AA1PKM
SCHEMBL9261050 0.62 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5TP53
SCHEMBL20299501 0.62 LCK (0.56) SIRT2SIRT1SIRT3SIRT5PTPN1
SCHEMBL716487 0.61 — —
SCHEMBL13514984 0.60 ALDH1A1 (0.50) MGLLSIRT2SIRT1SIRT3SIRT5
SCHEMBL10969109 0.60 ALDH1A1 (0.68) MGLLTP53ALDH1A1LMNAMAPT
SCHEMBL6032 0.60 ALDH1A1 (0.68) MGLLTP53ALDH1A1LMNAMAPT

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
EP-2121578-B1 PROCESS FOR PREPARING 5-BIPHENYL-4-AMINO-2-METHYL PENTANOIC ACID NOVARTIS AG (CH) 2016-08-10 — — EP disclosed
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