SCHEMBL7436759

SCHEMBL7436759

CCCOc1ccc(C2C(=O)N(C(S)CCc3ccccc3)C(=O)N2CC(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.39
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
AKR1B1 P15121 2/20 0.37
PTPN1 P18031 2/20 0.37
FFAR1 O14842 2/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL7441067 0.89 CYP3A4 (0.44) MAPTNPC1RAB9AGAAPOLB
SCHEMBL7443207 0.86 ACE (0.41) ACE
SCHEMBL7445183 0.84 ACE (0.38) ACE
SCHEMBL7441031 0.76 SSTR5 (0.46) LMNANPC1RAB9AFFAR1MEN1
SCHEMBL7433475 0.75 SIGMAR1 (0.44) ACE
SCHEMBL7436241 0.75 ACE (0.42) POLBACE
SCHEMBL7434091 0.74 ACE (0.41) POLBACE
SCHEMBL7439237 0.73 ACE (0.41) ACE
SCHEMBL7435799 0.72 ACE (0.39) ACE
SCHEMBL7441061 0.71 ALDH1A1 (0.41) MAPTGAAPOLBCYP3A4CYP2D6

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