SCHEMBL4456721

SCHEMBL4456721

CCCCCCCCC#Cc1ccc(CNCc2ccc(/C=C(\C)C(=O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54
MMP2 P08253 1/20 0.47
MMP12 P39900 1/20 0.47
TNK2 Q07912 1/20 0.42
S1PR1 P21453 6/20 0.39
S1PR3 Q99500 6/20 0.39
S1PR2 O95136 5/20 0.39
S1PR4 O95977 4/20 0.39
AKR1C3 P42330 1/20 0.38
TBXAS1 P24557 3/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4456726 1.00 FFAR1 (0.54) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL2853680 0.83 FFAR1 (0.55) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL2853683 0.83 FFAR1 (0.55) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL6716853 0.82 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL2859750 0.79 FFAR1 (0.85) FFAR1FFAR4MMP2MMP12S1PR1
SCHEMBL4456719 0.79 FFAR1 (0.50) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1852799 0.78 LMNA (0.57) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL2851095 0.77 FFAR1 (0.59) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL5598328 0.77 FFAR1 (0.59) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL5598330 0.76 FFAR1 (0.57) FFAR1FFAR4MMP2MMP12TNK2

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-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed