SCHEMBL8077751

SCHEMBL8077751

O=C(O)C1(CS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)CC2CCC(C1)O2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.43
MMP1 P03956 4/20 0.43
MMP13 P45452 4/20 0.43
MMP2 P08253 4/20 0.43
MMP9 P14780 3/20 0.43
MMP8 P22894 3/20 0.43
HSD11B1 P28845 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
MMP14 P50281 2/20 0.36
CRBN Q96SW2 1/20 0.36
MMP12 P39900 1/20 0.36
MEP1B Q16820 1/20 0.35
MMP7 P09237 2/20 0.35
KMT2A Q03164 2/20 0.34
PAX8 Q06710 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PTGS2 P35354 1/20 0.33

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
SCHEMBL7002033 0.90 MMP1 (0.55) MMP3MMP1MMP13MMP2MMP9
SCHEMBL7001935 0.80 MMP1 (0.46) MMP3MMP1MMP13MMP2MMP9
SCHEMBL7000007 0.78 MMP13 (0.66) MMP3MMP1MMP13MMP2MMP9
SCHEMBL6998203 0.73 MMP1 (0.50) MMP3MMP1MMP13MMP2MMP9
SCHEMBL7991333 0.72 MMP2 (0.40) MMP3MMP1MMP13MMP2MMP9
SCHEMBL7143052 0.71 MMP13 (0.45) MMP3MMP1MMP13MMP2MMP9
SCHEMBL6997644 0.71 MAPT (0.38) MMP3MMP1MMP13MMP2MMP9
SCHEMBL7144631 0.70 MMP13 (0.44) MMP3MMP1MMP13MMP2MMP9
SCHEMBL6995889 0.69 MMP1 (0.58) MMP3MMP1MMP13MMP2MMP9
SCHEMBL6995105 0.69 MMP1 (0.57) MMP3MMP1MMP13MMP2MMP9

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 disclosed