SCHEMBL935541

SCHEMBL935541

Cc1cccc2[nH]cc(SC(CC(C)C)C(=O)N[C@H](CO)c3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.42
METAP1 P53582 3/20 0.42
GPR88 Q9GZN0 11/20 0.41
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
RIPK1 Q13546 1/20 0.37
ADRB3 P13945 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
SCHEMBL958295 0.88 IL1RN (0.37) ADRB3
SCHEMBL958294 0.88 IL1RN (0.37) ADRB3
SCHEMBL935823 0.87 ECE1 (0.45)
SCHEMBL1055434 0.87 ECE1 (0.45)
SCHEMBL1045846 0.87 ECE1 (0.45)
SCHEMBL935825 0.87 ECE1 (0.45)
SCHEMBL937269 0.86 POLB (0.36) ALDH1A1LMNAADRB3
SCHEMBL937268 0.86 POLB (0.36) ALDH1A1LMNAADRB3
SCHEMBL1052259 0.85 ACE (0.41)
SCHEMBL935380 0.85 ACE (0.41)

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
WO-2011010748-A1 INDOLE DERIVATIVE AND SALTINESS-STRENGTHENING AGENT CONTAINING THE DERIVATIVE 味の素株式会社 (JP) 2011-01-27 WO disclosed