SCHEMBL10745249

SCHEMBL10745249

Cc1cc2c(s1)C(C(=O)O)CC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.34
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PNMT P11086 1/20 0.32
RXFP1 Q9HBX9 3/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
PKM P14618 1/20 0.31
MAPT P10636 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL7606949 0.79 SIRT1 (0.32) SIRT1GFERHSD17B10
SCHEMBL10746503 0.79 POLB (0.34) HSD17B10KDM4EALDH1A1MAPK1MAPT
SCHEMBL10742143 0.75 ALDH1A1 (0.34) ALDH1A1POLB
SCHEMBL10754496 0.72 TBXAS1 (0.32) POLB
SCHEMBL17970193 0.68 UGT2B17 (0.40) PNMTALDH1A1POLB
SCHEMBL10653698 0.68 TAAR1 (0.37)
SCHEMBL10741469 0.68 HSD17B2 (0.33) GFERHSD17B10RXFP1LMNAKDM4E
SCHEMBL19642816 0.67 SIRT1 (0.41) SIRT1HSD17B10ALDH1A1MAPT
SCHEMBL19643822 0.67 SIRT1 (0.41) SIRT1HSD17B10ALDH1A1MAPT
SCHEMBL13303500 0.67 UGT2B17 (0.35) PNMTLMNAALDH1A1PKMMAPT

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
US-4649153-A ANTIINFLAMMATORY, ANALGESICS LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1987-03-10 US disclosed