SCHEMBL8035524

SCHEMBL8035524

C=C(C)C(=O)OCC.CC=CC(C)OC(=O)COc1ccc(C=CC=Cc2ccc(O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.41
MAOB P27338 2/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGS2 P35354 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
STAT3 P40763 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8045438 0.93 ABCG2 (0.43) ABCG2MAOBSLC5A1SLC5A2PTGS2
SCHEMBL8050450 0.91 ABCG2 (0.36) ABCG2MAOBCA12CA1CA2
SCHEMBL8048204 0.81 NPSR1 (0.41) ABCG2MAOBCA12CA1CA2
SCHEMBL8053329 0.80 ABCG2 (0.39) ABCG2MAOBCA12CA1CA2
SCHEMBL8046959 0.75 MAPT (0.45) GAANPSR1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL2707013 0.75 CA12 (0.51) MAOBCA12CA1CA2CA7
SCHEMBL8046962 0.75 MAPT (0.45) GAANPSR1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL8053110 0.75 ABCG2 (0.44) ABCG2MAOBSMN1; SMN2POLBAPEX1
SCHEMBL8045679 0.74 POLB (0.37) ABCG2MAOBPTGS2STAT3POLB
SCHEMBL7263305 0.74 CA12 (0.42) ABCG2MAOBCA12CA1CA2

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
US-6010826-A Resist composition NIPPON ZEON CO., LTD. (JP) 2000-01-04 US disclosed
EP-0786701-A1 RESIST COMPOSITION NIPPON ZEON CO., LTD. (JP) 1997-07-30 EP disclosed