SCHEMBL936221

SCHEMBL936221

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
GFER P55789 1/20 0.45
GPR84 Q9NQS5 1/20 0.40
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
ADRB3 P13945 1/20 0.37
MAPT P10636 5/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
HSD17B10 Q99714 2/20 0.36
STAT3 P40763 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CXCL8 P10145 1/20 0.35

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
SCHEMBL936364 0.89 POLB (0.46) POLBGFERGPR84CYP3A4TSHR
SCHEMBL957127 0.86 POLB (0.44) POLBGFERGPR84CYP3A4TSHR
SCHEMBL957128 0.86 POLB (0.44) POLBGFERGPR84CYP3A4TSHR
SCHEMBL962320 0.86 POLB (0.44) POLBGFERGPR84CYP3A4TSHR
SCHEMBL935155 0.84 POLB (0.42) POLBGFERGPR84CYP3A4TSHR
SCHEMBL936872 0.83 LMNA (0.45) POLBGFERGPR84CYP3A4TSHR
SCHEMBL937949 0.83 POLB (0.41) POLBGFERGPR84CYP3A4TSHR
SCHEMBL936096 0.81 GPR84 (0.41) POLBGFERGPR84CTNNB1WNT3A
SCHEMBL963889 0.79 POLB (0.39) POLBGFERGPR84CYP3A4TSHR
SCHEMBL963890 0.79 POLB (0.39) POLBGFERGPR84CYP3A4TSHR

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