SCHEMBL4607693

SCHEMBL4607693

COc1cccc(-c2cc(Cl)cc3c2O[CH]C3)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
HTR7 P34969 2/20 0.34
ABCB1 P08183 1/20 0.34
TUBB4A P04350 3/20 0.33
TUBB P07437 3/20 0.33
TUBA3C P0DPH7 3/20 0.33
TUBA1B P68363 3/20 0.33
TUBA4A P68366 3/20 0.33

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
SCHEMBL27723628 0.88 HTR7 (0.41) KDM4EALDH1A1SMN1; SMN2HSD17B10HTR7
SCHEMBL5137674 0.86 KDM4E (0.36) KDM4EALDH1A1TDP1MAPTTP53
SCHEMBL4608823 0.85 NFE2L2 (0.36) KDM4EALDH1A1TDP1MAPTTP53
SCHEMBL5058872 0.81 SMN1; SMN2 (0.47) KDM4EALDH1A1TDP1MAPTTP53
SCHEMBL5137212 0.81 HTR2A (0.42) KDM4EALDH1A1TDP1SMN1; SMN2NPC1
SCHEMBL5134380 0.78 CYP3A4 (0.40) KDM4EALDH1A1TDP1MAPTTP53
SCHEMBL4768067 0.78 KDM4E (0.39) KDM4EALDH1A1TDP1MAPTTP53
SCHEMBL4768061 0.77 PRKAB2 (0.37) KDM4EALDH1A1TDP1MAPTTP53
SCHEMBL27723639 0.76 ALDH1A1 (0.42) KDM4EALDH1A1TDP1SMN1; SMN2NPC1
SCHEMBL4608722 0.76 HTR2A (0.32)

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 5 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 claimed
WO-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 WO claimed
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO disclosed