SCHEMBL6944651

SCHEMBL6944651

C=[C]c1cccc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NFE2L2 Q16236 5/20 0.41
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 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
SCHEMBL16961103 0.85 NPSR1 (0.39) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL16959448 0.83 DRD1 (0.34) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL16958856 0.83 KCNH2 (0.33) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL16960319 0.83 ALDH1A1 (0.39) SMN1; SMN2KDM4EMAPTALDH1A1LMNA
SCHEMBL16954028 0.83 SMN1; SMN2 (0.47) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL16958617 0.82 KCNK3 (0.36) SMN1; SMN2NFE2L2KDM4EALDH1A1MEN1
SCHEMBL16950875 0.81 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1LMNAALOX15MEN1
SCHEMBL16951404 0.81 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1MAPTALDH1A1LMNA
SCHEMBL2902141 0.80 CA1 (0.55) CA12CA1CA2CA4CA7
SCHEMBL338999 0.79 POLB (0.50) SMN1; SMN2CA12CA1CA2CA4

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
JP-2003519628-A 2003-06-24 JP claimed
EP-1257558-A1 METHODS FOR SYNTHESIS OF ALPHA-D-GAL (1- 3) GAL-CONTAINING OLIGOSACCHARIDES Alchemia Pty Ltd (AU) 2002-11-20 EP claimed
WO-2001051499-A1 METHODS FOR SYNTHESIS OF α-D-GAL (1→3) GAL-CONTAINING OLIGOSACCHARIDES ALCHEMIA PTY LTD (AU) 2001-07-19 WO claimed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed