SCHEMBL8072826

SCHEMBL8072826

NC(=O)C12CCC(CC(CS(=O)(=O)c3ccc(Oc4ccccc4)cc3)(C(=O)O)C1)O2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.44
MMP13 P45452 12/20 0.44
MMP1 P03956 11/20 0.44
MMP9 P14780 8/20 0.44
MMP3 P08254 7/20 0.44
MMP14 P50281 5/20 0.41
MMP8 P22894 5/20 0.41
MMP7 P09237 3/20 0.41
ADAM17 P78536 2/20 0.41
ABCB11 O95342 1/20 0.41
MMP10 P09238 1/20 0.41
MMP12 P39900 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7991333 0.93 MMP2 (0.40) MMP2MMP13MMP1MMP9MMP3
SCHEMBL7001935 0.79 MMP1 (0.46) MMP2MMP13MMP1MMP9MMP3
SCHEMBL7310714 0.73 MMP1 (0.63) MMP2MMP13MMP1MMP9MMP3
SCHEMBL25832 0.72 MMP1 (0.57) MMP2MMP13MMP1MMP9MMP3
SCHEMBL25908 0.72 MMP1 (0.56) MMP2MMP13MMP1MMP9MMP3
SCHEMBL6995105 0.72 MMP1 (0.57) MMP2MMP13MMP1MMP9MMP3
SCHEMBL7002033 0.71 MMP1 (0.55) MMP2MMP13MMP1MMP9MMP3
Hydroxyamine SCHEMBL5914637 0.68 MMP1 (0.74) MMP2MMP13MMP1MMP9MMP3
SCHEMBL6787427 0.68 MMP1 (0.81) MMP2MMP13MMP1MMP9MMP3
SCHEMBL9938067 0.67 MMP1 (0.77) MMP2MMP13MMP1MMP9MMP3

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-6110964-A FOR TREATING ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, EMPHYSEMA, ACUTE RESPIRATORY DISTRESS SYNDROME, ASTHMA CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ALZHEIMER'S DISEASE, ORGAN TRANSPLANT TOXICITY, CACHEXIA, CANCER PFIZER INC. (US) 2000-08-29 US claimed