SCHEMBL6744831

SCHEMBL6744831

Cc1ccc(-c2ccc3oc(COC(=O)Nc4ccccc4CCC(=O)O)cc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.44
FFAR1 O14842 6/20 0.44
PTGER4 P35408 2/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
ADAM17 P78536 1/20 0.39
MAOB P27338 2/20 0.39
CYP2C9 P11712 1/20 0.38
CACNA1C Q13936 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
NPC1 O15118 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
SCHEMBL6164836 0.84 SUCNR1 (0.46) FFAR4FFAR1PTGER4MAOB
SCHEMBL6744828 0.80 MAOB (0.40) MAOBCYP2C9KMT2AADORA3NPC1
SCHEMBL6740849 0.79 MAOB (0.47) FFAR4FFAR1MAOBHTTNPC1
SCHEMBL6163345 0.79 CA12 (0.46) FFAR4FFAR1MAOBKMT2ANPC1
SCHEMBL6164397 0.77 PTPN1 (0.50) FFAR4FFAR1MAOBALDH1A1
SCHEMBL6162827 0.77 MAOB (0.43) FFAR4FFAR1MAOBCYP2C9HTT
SCHEMBL6166638 0.76 ACLY (0.44) FFAR4FFAR1MAOB
SCHEMBL6162225 0.76 MGLL (0.41) FFAR4FFAR1MAOBCYP2C9KMT2A
SCHEMBL5395877 0.76 FFAR1 (0.62) FFAR1MAOBNPC1RAB9A
SCHEMBL6622607 0.76 HCAR2 (0.47) FFAR4FFAR1MAOBKMT2ANPC1

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-6693098-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIVES CONTAINING CARBAMATE GROUPS ARE USEFUL FOR TREATING THE CONDITIONS ASSOCIATED WITH THE URINARY TRACT, PAIN, INFLAMMATION, RESPIRATORY STATES, EDEMA FORMATION OF HYPOTENSIVE VASCULAR DISEASES SYNTEX (U.S.A) LLC 2004-02-17 US claimed