SCHEMBL7273045

SCHEMBL7273045

CCCCOc1ccc2cc([C]=O)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA7 P43166 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ CA6 P23280 2/20 0.50
▸ CA14 Q9ULX7 2/20 0.50
▸ CA5B Q9Y2D0 2/20 0.50
▸ CA3 P07451 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ TSHR P16473 1/20 0.45
▸ LTA4H P09960 2/20 0.44
▸ AHR P35869 1/20 0.44
▸ THRA P10827 1/20 0.44
▸ NR5A1 Q13285 1/20 0.43
▸ CA5A P35218 1/20 0.43

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
SCHEMBL7282623 0.95 NR5A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL7282661 0.95 NR5A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL7279321 0.95 NR5A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL7273554 0.95 NR5A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL7272496 0.95 NR5A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL11825309 0.86 NQO1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL2121391 0.85 LTA4H (0.53) CA12CA1CA2CA7CA9
SCHEMBL9743012 0.84 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7289920 0.84 NPC1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL19809314 0.83 CA12 (0.59) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1040541-C Polypeptide compound and process for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1998-11-04 — — CN disclosed
US-H1638-H CYCLIC HEXAPEPTIDE FURUTA TAKAHISA (JP) 1997-03-04 — — US disclosed
EP-0462531-B1 Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain FUJISAWA PHARMACEUTICAL CO (JP) 1996-10-02 — — EP disclosed
EP-0729974-A1 Cyclic polypeptide with antibiotic activity and a process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-04 — — EP disclosed
US-5376634-A Microbiocides FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-12-27 — — US disclosed
EP-0486011-A2 Pharmaceutical composition against Pneumocystis carinii FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-05-20 — — EP disclosed
CN-1059729-A Novel polypeptide compound and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1992-03-25 — — CN disclosed
EP-0462531-A2 Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-27 — — EP disclosed
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