SCHEMBL7628034

SCHEMBL7628034

CC#CCC(CCCC)(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.36
MMP1 P03956 4/20 0.36
ADAM17 P78536 4/20 0.36
MMP9 P14780 5/20 0.34
MMP2 P08253 1/20 0.32
HTR7 P34969 1/20 0.32
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
METAP2 P50579 1/20 0.30
TBXA2R P21731 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
SCHEMBL6801890 0.90 MMP13 (0.36) MMP13MMP1ADAM17MMP9MMP2
SCHEMBL6934658 0.78 MMP1 (0.49) MMP13MMP1ADAM17MMP9
SCHEMBL6930067 0.77 MMP13 (0.50) MMP13MMP1ADAM17MMP9ALDH1A1
SCHEMBL7619177 0.77 MMP13 (0.32) MMP13MMP1ADAM17MMP9MMP2
SCHEMBL6930141 0.76 MMP1 (0.36) MMP13MMP1MMP9MMP2FFAR1
SCHEMBL6932872 0.75 MMP1 (0.49) MMP13MMP1ADAM17MMP9
SCHEMBL6933389 0.73 MMP13 (0.53) MMP13MMP1ADAM17MMP9MMP2
SCHEMBL6934875 0.72 MMP13 (0.46) MMP13MMP1ADAM17MMP9MMP2
SCHEMBL6800697 0.70 GPR119 (0.39) MMP13MMP1ADAM17MMP2ALDH1A1
SCHEMBL22951407 0.68 ALDH1A1 (0.44) HTR7FFAR1FFAR4ALDH1A1SMN1; SMN2

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-6444685-B1 THERAPY FOR METABOLISM DISEASES; DIETETICS; ANTIDIABETIC AGENTS WYETH 2002-09-03 US disclosed