SCHEMBL7375610

SCHEMBL7375610

O=C(O)C([AsH2])CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
TSHR P16473 1/20 0.49
KEAP1 Q14145 1/20 0.48
ANPEP P15144 2/20 0.47
ERAP1 Q9NZ08 2/20 0.47
ERAP2 Q6P179 1/20 0.47
CYP1A2 P05177 1/20 0.47
MME P08473 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.46
ACP3 P15309 1/20 0.46
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45

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
SCHEMBL7375605 1.00 CNR2 (0.49) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL1857365 0.83 CYP1A2 (0.61) KEAP1ANPEPERAP1ERAP2CYP1A2
Water SCHEMBL4010621 0.81 CYP1A2 (0.59) CNR2ANPEPERAP1ERAP2CYP1A2
SCHEMBL2291948 0.80 MMP8 (0.56) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL360781 0.77 CNR2 (0.50) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL7439193 0.77 GRIK1 (0.64) ANPEPERAP1ERAP2CYP1A2
SCHEMBL7439191 0.77 GRIK1 (0.64) ANPEPERAP1ERAP2CYP1A2
SCHEMBL233440 0.77 CNR2 (0.50) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL233441 0.77 CNR2 (0.50) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL7439419 0.77 GRIK1 (0.64) ANPEPERAP1ERAP2CYP1A2

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-0929542-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-21 EP disclosed
WO-1998009957-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO disclosed