SCHEMBL963890

SCHEMBL963890

Cc1cccc2[nH]cc(SC(CC(C)C)C(=O)NCC(=O)NCCO)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
IL1RN P18510 1/20 0.38
ERAP2 Q6P179 1/20 0.38
STAT3 P40763 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB3 P13945 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
MMP1 P03956 2/20 0.33
NPC1 O15118 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 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
SCHEMBL963889 1.00 POLB (0.39) POLBGFERIL1RNERAP2STAT3
SCHEMBL962320 0.93 POLB (0.44) POLBGFERIL1RNERAP2STAT3
SCHEMBL957128 0.93 POLB (0.44) POLBGFERIL1RNERAP2STAT3
SCHEMBL957127 0.93 POLB (0.44) POLBGFERIL1RNERAP2STAT3
SCHEMBL936885 0.87 POLB (0.39) POLBGFERGPR84MMP1MMP2
SCHEMBL936009 0.87 POLB (0.39) POLBGFERGPR84MMP1MMP2
SCHEMBL959641 0.86 POLB (0.39) POLBGFERSTAT3HSD17B10GPR84
SCHEMBL959640 0.86 POLB (0.39) POLBGFERSTAT3HSD17B10GPR84
SCHEMBL936327 0.85 ALOX5 (0.42) POLBGFERGPR84MEN1KMT2A
SCHEMBL936328 0.85 ALOX5 (0.42) POLBGFERGPR84MEN1KMT2A

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