SCHEMBL4760683

SCHEMBL4760683

COc1ccc(OC)c(-c2cc(OC)cc3c2O[CH]C3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HDAC4 P56524 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
TDP2 O95551 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2D6 P10635 1/20 0.39
DHFR P00374 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
METAP1 P53582 1/20 0.37

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
SCHEMBL5595895 0.78 MAPT (0.38) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL5137212 0.78 HTR2A (0.42) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL5134380 0.78 CYP3A4 (0.40) CA12CA1CA2CA7CA9
SCHEMBL4759176 0.76 MAPK14 (0.36) CA1CA2MAPT
SCHEMBL4794338 0.76 MAPK14 (0.41) TDP2SMN1; SMN2NPC1GAARAB9A
SCHEMBL4770057 0.76 S1PR4 (0.37) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL4607851 0.75 DRD1 (0.34) ALDH1A1MAPTHPGDKDM4ECYP2D6
SCHEMBL4772006 0.75 TP53 (0.34) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL4791682 0.75 ACHE (0.37) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL5084553 0.75 GABRP (0.39) 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
EP-1998764-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP disclosed
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP disclosed
WO-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 WO disclosed
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO disclosed