SCHEMBL8835331

SCHEMBL8835331

CC=CC(=O)OCCOc1ccc2ccc(=O)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 13/20 0.60
CA9 Q16790 13/20 0.60
CA1 P00915 7/20 0.60
CA6 P23280 3/20 0.60
CA7 P43166 3/20 0.60
CA14 Q9ULX7 3/20 0.60
CA5B Q9Y2D0 3/20 0.60
CA2 P00918 2/20 0.60
CA4 P22748 2/20 0.60
CA5A P35218 2/20 0.60
CA3 P07451 1/20 0.60
MAOB P27338 4/20 0.56
CYP1A2 P05177 1/20 0.56
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 3/20 0.55
MTNR1A P48039 1/20 0.55
TP53 P04637 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAOA P21397 3/20 0.52

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
SCHEMBL8835032 0.93 CA12 (0.61) CA12CA9CA1CA6CA7
SCHEMBL8835112 0.89 KMT2A (0.60) CA12CA9CA1CA6CA7
SCHEMBL7915759 0.85 CA12 (0.63) CA12CA9CA1CA6CA7
SCHEMBL8835298 0.84 KMT2A (0.59) CA12CA9CA1CA6CA7
SCHEMBL8834897 0.84 KMT2A (0.59) CA12CA9CA1CA6CA7
SCHEMBL8835078 0.83 KMT2A (0.58) CA12CA9CA1CA6CA7
SCHEMBL8834808 0.83 KMT2A (0.58) CA12CA9CA1CA6CA7
SCHEMBL8368509 0.83 CA12 (0.68) CA12CA9CA1CA6CA7
SCHEMBL8835021 0.82 KMT2A (0.60) MAOBKDM4EALDH1A1TP53HPGD
SCHEMBL12304245 0.81 CA12 (0.81) CA12CA9CA1CA6CA7

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-0783537-A1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS F. HOFFMANN-LA ROCHE AG (CH) 1997-07-16 EP disclosed
WO-1996010049-A1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS F. HOFFMANN-LA ROCHE AG (CH) 1996-04-04 WO disclosed