SCHEMBL8138373

SCHEMBL8138373

CCOC(=O)c1cc(C2CC2)c(O)nc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CA12 O43570 3/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA7 P43166 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CA14 Q9ULX7 3/20 0.43
▸ TSHR P16473 1/20 0.42
▸ DHODH Q02127 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CSNK1D P48730 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ FOS P01100 1/20 0.39
▸ JUN P05412 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39

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
SCHEMBL29391322 0.84 TSHR (0.50) KDM4EHSD17B10CA12CA1CA2
SCHEMBL27904206 0.84 KDM4E (0.56) KDM4EHSD17B10CA12CA1CA2
SCHEMBL8133511 0.79 CASP1 (0.47) KDM4EHSD17B10CA12CA1CA2
SCHEMBL8751783 0.78 TSHR (0.49) KDM4ECA12CA1CA2CA7
SCHEMBL30830272 0.77 CSNK1D (0.44) KDM4EHSD17B10CA12CA1CA2
SCHEMBL26984655 0.77 CSNK1D (0.44) KDM4EHSD17B10CA12CA1CA2
SCHEMBL13285605 0.76 ALDH1A1 (0.51) KDM4EHSD17B10CA12CA1CA2
SCHEMBL2413946 0.76 CYP1A2 (0.58) KDM4ECA12CA1CA2CA7
SCHEMBL26984400 0.75 CSNK1D (0.42) KDM4EHSD17B10CA12CA1CA2
SCHEMBL12516031 0.74 NR1H2 (0.44) KDM4EHSD17B10CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527889-B1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 2000-08-02 — — EP disclosed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 — — EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 — — US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 — — US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 — — WO disclosed
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 — — US disclosed
EP-0723545-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-07-31 — — EP disclosed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 — — WO disclosed
EP-0527889-A4 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 1994-08-10 — — EP disclosed
EP-0527889-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1993-02-24 — — EP disclosed
WO-1991016894-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1991-11-14 — — WO disclosed
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