SCHEMBL7432509

SCHEMBL7432509

O=C1CN(C2(C(=O)O)CCCCC2)C(=O)N1C(S)CCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACE P12821 4/20 0.31

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
SCHEMBL7431861 0.99 CNR2 (0.33) CNR2ALDH1A1PKMPOLBNPSR1
SCHEMBL7432501 0.80 CPA3 (0.41) ALDH1A1PKMPOLBKMT2AMEN1
SCHEMBL7431854 0.79 CPA3 (0.42) ALDH1A1PKMPOLBKMT2AMEN1
SCHEMBL7438517 0.75 GAA (0.35) TSHRALDH1A1POLBKMT2AMEN1
SCHEMBL7428792 0.74 CYP2D6 (0.45) POLBNPSR1KMT2AACE
SCHEMBL7436715 0.73 SIGMAR1 (0.37) POLBKMT2AMEN1USP2GAA
SCHEMBL7426522 0.72 MAPT (0.43) TSHRALDH1A1POLBNPSR1KMT2A
SCHEMBL7440468 0.72 POLB (0.37) TSHRCNR2ALDH1A1PKMPOLB
SCHEMBL7432535 0.72 HSD11B1 (0.45) ALDH1A1NPSR1KMT2AMEN1HTT
SCHEMBL7446529 0.72 ACE (0.41) TSHRALDH1A1PKMPOLBNPSR1

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-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed