SCHEMBL7001941

SCHEMBL7001941

O=C(NO)[C@@]1(CSc2ccc(Oc3ccc(Cl)cc3)cc2)C[C@H]2CC[C@@H](C1)O2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.56
MMP13 P45452 11/20 0.56
MMP9 P14780 6/20 0.45
ADAM17 P78536 4/20 0.45
MMP2 P08253 3/20 0.45
MMP3 P08254 3/20 0.45
MMP8 P22894 3/20 0.45
MMP7 P09237 2/20 0.45
MMP14 P50281 2/20 0.45
ABCB11 O95342 1/20 0.45
MMP10 P09238 1/20 0.45
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL6998853 1.00 MMP1 (0.56) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7993340 0.89 MMP1 (0.56) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6995857 0.88 MMP1 (0.46) MMP1MMP13MMP9MMP2MMP3
SCHEMBL7304591 0.81 MMP1 (0.64) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL6994365 0.80 MMP1 (0.69) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL6994368 0.80 MMP1 (0.69) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7310855 0.79 MMP13 (0.56) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7993451 0.78 MMP1 (0.45) MMP1MMP13MMP9MMP2MMP3
SCHEMBL7309299 0.77 MMP1 (0.46) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7309706 0.77 MMP13 (0.57) MMP1MMP13MMP9ADAM17MMP2

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 4 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
EP-1070069-A1 BICYCLIC HYDROXAMIC ACID DERIVATIVES Pfizer Products Inc. (US) 2001-01-24 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
WO-1999052910-A1 BICYCLIC HYDROXAMIC ACID DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-10-21 WO disclosed