SCHEMBL4774337

SCHEMBL4774337

O=Cc1cccc2c1OCCN2C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.50
KDM4E B2RXH2 1/20 0.40
UCHL1 P09936 1/20 0.39
USP30 Q70CQ3 1/20 0.39
FAAH O00519 3/20 0.37
NAAA Q02083 2/20 0.37
POLB P06746 2/20 0.36
EGFR P00533 3/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BTK Q06187 2/20 0.35
HTR1A P08908 1/20 0.34
PDK1 Q15118 1/20 0.34
ADRB1 P08588 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
SCHEMBL31442690 0.80 NOTUM (0.51) NOTUMUCHL1USP30FAAHNAAA
SCHEMBL19279722 0.80 NOTUM (0.51) NOTUMUCHL1USP30FAAHNAAA
SCHEMBL306243 0.80 NOTUM (0.46) NOTUMUCHL1USP30POLBEGFR
SCHEMBL29753309 0.80 NOTUM (0.46) NOTUMUCHL1USP30POLBEGFR
SCHEMBL4781137 0.78 NOTUM (0.49) NOTUMUCHL1USP30FAAHNAAA
SCHEMBL30609086 0.76 NOTUM (0.40) NOTUMKDM4EL3MBTL1ADRB1
SCHEMBL13113610 0.76 NOTUM (0.40) NOTUMKDM4EL3MBTL1ADRB1
SCHEMBL20872567 0.75 NOTUM (0.50) NOTUMUCHL1USP30FAAHNAAA
SCHEMBL6648039 0.72 NOTUM (0.73) NOTUMPOLBPDK1
SCHEMBL14158701 0.72 NOTUM (0.43) NOTUMKDM4EUCHL1USP30POLB

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-2008008431-A2 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed