SCHEMBL936327

SCHEMBL936327

COC(=O)CNC(=O)[C@@H](CC(C)C)Sc1c[nH]c2cccc(C)c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
POLB P06746 1/20 0.38
GFER P55789 1/20 0.38
MMP1 P03956 6/20 0.37
GPR84 Q9NQS5 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
MMP2 P08253 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL936328 1.00 ALOX5 (0.42) ALOX5POLBGFERMMP1GPR84
SCHEMBL936009 0.89 POLB (0.39) POLBGFERMMP1GPR84MMP2
SCHEMBL936885 0.89 POLB (0.39) POLBGFERMMP1GPR84MMP2
SCHEMBL959641 0.88 POLB (0.39) POLBGFERGPR84ALDH1A1LMNA
SCHEMBL959640 0.88 POLB (0.39) POLBGFERGPR84ALDH1A1LMNA
SCHEMBL936803 0.87 POLB (0.41) POLBGFERGPR84ALDH1A1LMNA
SCHEMBL935885 0.87 MAPT (0.41) POLBGFERGPR84ALDH1A1LMNA
SCHEMBL957128 0.85 POLB (0.44) POLBGFERMMP1GPR84ALDH1A1
SCHEMBL962320 0.85 POLB (0.44) POLBGFERMMP1GPR84ALDH1A1
SCHEMBL957127 0.85 POLB (0.44) POLBGFERMMP1GPR84ALDH1A1

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