SCHEMBL7456216

SCHEMBL7456216

CN(C(=O)O)[C@@H](Cc1ccccc1)C(=O)C(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ UBE2N P61088 1/20 0.42
▸ ADAMTS5 Q9UNA0 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MEN1 O00255 2/20 0.41

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
SCHEMBL7463870 1.00 HPGD (0.46) HPGDALDH1A1MAPTUBE2NADAMTS5
SCHEMBL3648776 0.83 CYP1A2 (0.52) HPGDALDH1A1MAPTUBE2NADAMTS5
SCHEMBL6946975 0.82 HPGD (0.47) HPGDALDH1A1MAPTUBE2NADAMTS5
SCHEMBL7454176 0.82 HPGD (0.44) HPGDALDH1A1MAPTCYP1A2NPC1
SCHEMBL8603114 0.82 HPGD (0.47) HPGDALDH1A1MAPTUBE2NADAMTS5
SCHEMBL6950840 0.82 HPGD (0.47) HPGDALDH1A1MAPTUBE2NADAMTS5
SCHEMBL7257123 0.82 HPGD (0.44) HPGDALDH1A1MAPTCYP1A2NPC1
SCHEMBL7452372 0.81 LMNA (0.41) HPGDALDH1A1MAPTADAMTS5CYP1A2
SCHEMBL7454025 0.81 LMNA (0.41) HPGDALDH1A1MAPTADAMTS5CYP1A2
SCHEMBL7459409 0.81 MEN1 (0.45) HPGDALDH1A1MAPTCYP1A2NPC1

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-0930292-B1 PROCESS FOR PREPARING BETA-AMINO-ALPHA-HYDROXY ACID DERIVATIVES KANEKA CORP (JP) 2002-10-16 — — EP claimed
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