SCHEMBL8524352

SCHEMBL8524352

COc1ccc(CCCOc2ccc(S(=O)(=O)C3CCCCC3C(=O)NO)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.72
MMP2 P08253 8/20 0.72
MMP13 P45452 5/20 0.49
MMP1 P03956 3/20 0.49
MMP8 P22894 2/20 0.47
MMP12 P39900 1/20 0.47
FKBP1A P62942 2/20 0.46
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7308413 0.87 MMP9 (0.95) MMP9MMP2MMP13MMP1MMP8
SCHEMBL7308416 0.87 MMP9 (0.95) MMP9MMP2MMP13MMP1MMP8
SCHEMBL7305528 0.85 MMP9 (1.00) MMP9MMP2MMP13MMP1MMP8
SCHEMBL7305533 0.85 MMP9 (1.00) MMP9MMP2MMP13MMP1MMP8
SCHEMBL8524291 0.78 MMP9 (0.68) MMP9MMP2MMP13MMP1MMP3
SCHEMBL8483590 0.74 MMP2 (0.55) MMP9MMP2MMP1HPGDSMN1; SMN2
SCHEMBL7305247 0.74 MMP9 (0.70) MMP9MMP2MMP13MMP1MMP8
SCHEMBL27476403 0.74 MMP9 (0.70) MMP9MMP2MMP13MMP1MMP8
SCHEMBL8525263 0.74 MMP9 (0.70) MMP9MMP2MMP13MMP1MMP8
SCHEMBL27432261 0.74 MMP9 (0.70) MMP9MMP2MMP13MMP1MMP8

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-5883131-A Cyclic sulfone derivatives PFIZER INC. (US) 1999-03-16 US disclosed