SCHEMBL6662479

SCHEMBL6662479

CC#CCOc1ccc(SOC(=O)Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 9/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
MMP9 P14780 2/20 0.40
MMP13 P45452 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL6656714 0.89 ADAM17 (0.45) ADAM17ALDH1A1RAB9AMMP9MMP13
SCHEMBL6656959 0.89 ADAM17 (0.52) ADAM17ALDH1A1KMT2AMMP9MMP13
SCHEMBL6655286 0.88 ADAM17 (0.51) ADAM17MMP9MMP13
SCHEMBL6660841 0.86 MAOB (0.43) ADAM17KMT2AMMP9MMP13MAOA
SCHEMBL6656661 0.83 ADAM17 (0.44) ADAM17KMT2AMEN1RAB9AMMP9
SCHEMBL6658036 0.81 PSMB5 (0.39) ADAM17MMP9MMP13SMN1; SMN2KDM4E
SCHEMBL6654871 0.80 ADAM17 (0.43) ADAM17MMP9MMP13MAOAMAOB
SCHEMBL6656469 0.78 ADAM17 (0.56) ADAM17MMP9MMP13
SCHEMBL6659307 0.73 ADAM17 (0.53) ADAM17MMP9MMP13POLB
SCHEMBL6656624 0.72 LTA4H (0.49) ALDH1A1RAB9ATDP1L3MBTL1SMN1; SMN2

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-1147080-B1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP disclosed
US-6340691-B1 TREATMENT OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-01-22 US disclosed