SCHEMBL1570190

SCHEMBL1570190

CCOC(=O)c1cc2c(O)cccc2n1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
F10 P00742 2/20 0.42
ATM Q13315 1/20 0.41
GRK6 P43250 1/20 0.41
CDC25B P30305 2/20 0.40
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 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
SCHEMBL12490981 0.81 NOD2 (0.55) ALDH1A1KDM4EL3MBTL1F10GRK6
SCHEMBL5005300 0.80 CA12 (0.53) CA1CA2CA12CA7CA9
SCHEMBL701977 0.79 KDM4E (0.52) CA1CA2CA12CA7CA9
SCHEMBL30995157 0.76 NOD2 (0.53) ALDH1A1KDM4EL3MBTL1F10GRK6
SCHEMBL30995142 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1F10GRK6
SCHEMBL27633995 0.75 NOTUM (0.39) ALDH1A1KDM4EL3MBTL1ATMRAB9A
SCHEMBL5584948 0.75 F10 (0.47) CA1CA2CA12CA7CA9
SCHEMBL30995245 0.74 LMNA (0.37) ALDH1A1KDM4EL3MBTL1GRK6RAB9A
SCHEMBL914734 0.73 CA12 (0.44) CA1CA2CA12CA7CA9
SCHEMBL31505722 0.73 NOD2 (0.50) ALDH1A1KDM4EL3MBTL1F10GRK6

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-2307422-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS Banyu Pharmaceutical Co., Ltd. (JP) 2011-04-13 EP disclosed
WO-2010002010-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-01-07 WO disclosed