SCHEMBL2875569

SCHEMBL2875569

COc1ccc(C(C)C)cc1-c1nc(C(=O)O)co1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSA P10619 12/20 0.42
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FYN P06241 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL12563482 0.79 PDE2A (0.44) CTSANPSR1HSD17B10MAPT
SCHEMBL27816822 0.79 IKBKB (0.49) KDM4EL3MBTL1HSD17B10ALOX15MEN1
SCHEMBL31604695 0.76 PTPN1 (0.53)
SCHEMBL28788541 0.75 HDAC1 (0.46) KDM4EHSD17B10MAPT
SCHEMBL1988924 0.75 PDE2A (0.39) CTSANPSR1HSD17B10MAPT
SCHEMBL12697463 0.75 PDE2A (0.39) CTSANPSR1HSD17B10MAPT
SCHEMBL2638386 0.74 ADRB2 (0.53)
SCHEMBL1660892 0.72 BCHE (0.42)
SCHEMBL487560 0.72 ALDH1A1 (0.50) KDM4EFYNNPSR1HSD17B10MAPT
SCHEMBL8940819 0.71 HDAC4 (0.50) FYNMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 WO disclosed