SCHEMBL935155

SCHEMBL935155

CCC(Sc1c[nH]c2cccc(C)c12)C(=O)NCCO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
GFER P55789 1/20 0.42
GAA P10253 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
STAT3 P40763 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
ADRB3 P13945 1/20 0.35
IGF1R P08069 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
CTSC P53634 1/20 0.34

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
SCHEMBL937949 0.91 POLB (0.41) POLBGFERGAAGPR84STAT3
SCHEMBL962320 0.90 POLB (0.44) POLBGFERGPR84STAT3HSD17B10
SCHEMBL957127 0.90 POLB (0.44) POLBGFERGPR84STAT3HSD17B10
SCHEMBL957128 0.90 POLB (0.44) POLBGFERGPR84STAT3HSD17B10
SCHEMBL936364 0.86 POLB (0.46) POLBGFERGAAGPR84STAT3
SCHEMBL936221 0.84 POLB (0.45) POLBGFERGAAGPR84STAT3
SCHEMBL936872 0.83 LMNA (0.45) POLBGFERGAAGPR84STAT3
SCHEMBL963889 0.83 POLB (0.39) POLBGFERGPR84STAT3HSD17B10
SCHEMBL963890 0.83 POLB (0.39) POLBGFERGPR84STAT3HSD17B10
SCHEMBL935586 0.82 POLB (0.51) POLBGAAGPR84CTNNB1WNT3A

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