SCHEMBL7002033

SCHEMBL7002033

O=C(O)C1(CS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC2CCC(C1)O2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.55
MMP13 P45452 12/20 0.55
MMP2 P08253 6/20 0.55
MMP9 P14780 6/20 0.55
MMP3 P08254 5/20 0.55
MMP8 P22894 4/20 0.55
MMP14 P50281 4/20 0.45
MMP7 P09237 2/20 0.42
ABCB11 O95342 1/20 0.42
MMP10 P09238 1/20 0.42
ADAM17 P78536 1/20 0.42
SOS1 Q07889 1/20 0.39
MMP12 P39900 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 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
SCHEMBL7001935 0.91 MMP1 (0.46) MMP1MMP13MMP2MMP9MMP3
SCHEMBL8077751 0.90 MMP3 (0.43) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7000007 0.88 MMP13 (0.66) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6998206 0.83 MMP1 (0.50) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6998203 0.83 MMP1 (0.50) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6995105 0.80 MMP1 (0.57) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7991333 0.80 MMP2 (0.40) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6995889 0.80 MMP1 (0.58) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6995243 0.78 MMP1 (0.46) MMP1MMP13MMP2MMP9MMP3
SCHEMBL4048453 0.77 MMP1 (0.80) MMP1MMP13MMP2MMP9MMP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070069-B1 BICYCLIC HYDROXAMIC ACID DERIVATIVES PFIZER PROD INC (US) 2003-07-16 EP disclosed
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