SCHEMBL4432976

SCHEMBL4432976

Oc1ccc(-c2ccccc2-c2ccc(-c3ccccc3-c3ccc(O)cc3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.76
ABCB1 P08183 2/20 0.76
BCR P11274 2/20 0.76
BCL2L1 Q07817 2/20 0.63
MMP3 P08254 1/20 0.63
ESR2 Q92731 4/20 0.60
ESR1 P03372 6/20 0.59
APP P05067 1/20 0.52
RPS6KA3 P51812 1/20 0.52
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA3 P07451 2/20 0.50
CA4 P22748 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
MEN1 O00255 2/20 0.50

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
SCHEMBL1649339 1.00 ABL1 (0.76) ABL1ABCB1BCRBCL2L1MMP3
SCHEMBL1885427 0.97 ABL1 (0.73) ABL1ABCB1BCRBCL2L1MMP3
SCHEMBL3681823 0.94 BCL2L1 (0.74) ABL1ABCB1BCRBCL2L1MMP3
Ethane SCHEMBL28019198 0.94 ABL1 (0.70) ABL1ABCB1BCRBCL2L1MMP3
SCHEMBL29926196 0.94 BCL2L1 (0.74) ABL1ABCB1BCRBCL2L1MMP3
SCHEMBL28823253 0.92 BCL2L1 (0.70) ABL1ABCB1BCRBCL2L1MMP3
Methane SCHEMBL27552481 0.92 BCL2L1 (0.70) ABL1ABCB1BCRBCL2L1MMP3
Hydrogen Sulfide SCHEMBL27798329 0.92 BCL2L1 (0.70) ABL1ABCB1BCRBCL2L1MMP3
SCHEMBL31060965 0.87 ABL1 (1.00) ABL1ABCB1BCRBCL2L1MMP3
SCHEMBL20721749 0.87 ACHE (0.62) ABL1ABCB1BCRBCL2L1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163621-A1 Process for improving color of polycondensates SIMON DIRK 2009-06-25 US disclosed
EP-1664181-B1 PROCESS FOR IMPROVING COLOR OF POLYCONDENSATES CIBA SC HOLDING AG (CH) 2006-12-20 EP disclosed
US-6469078-B1 INCREASING THE MOLECULAR WEIGHT OF POLYCONDENSATE RECYCLATES FROM USEFUL MATERIAL COLLECTIONS CIBA SPECIALTY CHEMICALS CORPORATION 2002-10-22 US disclosed