SCHEMBL9161966

SCHEMBL9161966

O=C(O)c1c(O)cccc1C1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA14 Q9ULX7 2/20 0.57
PPIA P62937 8/20 0.50
BID P55957 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BAK1 Q16611 1/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HMGB1 P09429 1/20 0.41
HPGD P15428 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAPRT Q6XQN6 1/20 0.41

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
SCHEMBL7796836 0.84 CYP2C9 (0.49) CA12CA1CA2CA7CA9
SCHEMBL28069841 0.82 HDAC3 (0.37) CA12CA1CA2CA7CA9
SCHEMBL10046425 0.80 CA12 (0.80) CA12CA1CA2CA7CA9
SCHEMBL8840921 0.78 ALDH1A1 (0.48) CA12CA1CA2CA14PPIA
SCHEMBL382854 0.78 MEN1 (0.46) CA12CA1CA2CA14PPIA
SCHEMBL6237100 0.76 ALDH1A1 (0.46) CA12CA1CA2CA14PPIA
SCHEMBL8339930 0.76 HPGD (0.46) CA12CA1CA2CA14PPIA
SCHEMBL5667417 0.75 FOLH1 (0.44) PPIAHDAC3HDAC4HDAC7HDAC8
SCHEMBL28102236 0.75 POLB (0.37) CA12CA1CA2CA7CA9
SCHEMBL224031 0.75 CA1 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5405416-A A floatable dye mixtures consisting of a water soluble or disperse dye, a density controller microballoons and a binder; a marker locating a crashed aircraft, life rafts; pretective devices COMMONWEALTH OF AUSTRALIA (AU) 1995-04-11 US disclosed
EP-0459986-A4 MARINE DYE COMPOSITION 1992-04-01 EP disclosed
EP-0459986-A1 MARINE DYE COMPOSITION THE COMMONWEALTH OF AUSTRALIA (AU) 1991-12-11 EP disclosed
WO-1990010044-A1 MARINE DYE COMPOSITION COMMONWEALTH OF AUSTRALIA (AU) 1990-09-07 WO disclosed