SCHEMBL962320

SCHEMBL962320

Cc1cccc2[nH]cc(S[C@H](CC(C)C)C(=O)NCCO)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
GFER P55789 1/20 0.44
GPR84 Q9NQS5 1/20 0.39
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
IL1RN P18510 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ADRB3 P13945 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
HSD17B10 Q99714 2/20 0.35
STAT3 P40763 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 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
SCHEMBL957128 1.00 POLB (0.44) POLBGFERGPR84CYP3A4TSHR
SCHEMBL957127 1.00 POLB (0.44) POLBGFERGPR84CYP3A4TSHR
SCHEMBL963889 0.93 POLB (0.39) POLBGFERGPR84CYP3A4TSHR
SCHEMBL963890 0.93 POLB (0.39) POLBGFERGPR84CYP3A4TSHR
SCHEMBL935155 0.90 POLB (0.42) POLBGFERGPR84CYP3A4TSHR
SCHEMBL936803 0.89 POLB (0.41) POLBGFERGPR84MAPTALDH1A1
SCHEMBL935885 0.89 MAPT (0.41) POLBGFERGPR84ADRB3MAPT
SCHEMBL937949 0.88 POLB (0.41) POLBGFERGPR84CYP3A4TSHR
SCHEMBL936364 0.88 POLB (0.46) POLBGFERGPR84CYP3A4TSHR
SCHEMBL936885 0.87 POLB (0.39) POLBGFERGPR84MMP1MMP2

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