SCHEMBL6923618

SCHEMBL6923618

CC(=O)Oc1ccc(-c2c(C)c3ccc(OC(C)=O)cc3oc2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.64
ALDH1A1 P00352 8/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
MAPT P10636 2/20 0.64
LMNA P02545 2/20 0.64
POLB P06746 2/20 0.64
HTT P42858 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
KMT2A Q03164 3/20 0.62
STAT1 P42224 1/20 0.62
GLA P06280 6/20 0.60
GAA P10253 6/20 0.60
CASP1 P29466 3/20 0.60
CASP7 P55210 3/20 0.60
HSD17B10 Q99714 3/20 0.60
GAPDH P04406 1/20 0.54
ERAP1 Q9NZ08 1/20 0.53
HPGD P15428 4/20 0.52
CYP1A2 P05177 1/20 0.52

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
SCHEMBL14307628 0.94 KDM4E (0.73) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL7912467 0.92 KDM4E (0.73) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL14302130 0.90 NPC1 (0.57) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL5108571 0.85 KDM4E (0.58) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL14307631 0.83 KDM4E (0.53) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL6506553 0.82 MAPT (0.86) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL23743853 0.81 KDM4E (0.74) KDM4EALDH1A1RAB9ALMNAKMT2A
SCHEMBL7123957 0.81 NPC1 (0.80) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL16847217 0.80 KDM4E (0.53) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL7019582 0.79 KDM4E (0.60) KDM4EALDH1A1NPC1RAB9AMAPT

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
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 US disclosed
US-6518301-B1 Better selectivity than estrogen for the estrogen receptor-beta over receptor-alpha; treatment of Alzheimer's disease, anxiety, depression, osteoporosis, cardiovascular disease, rheumatoid arthritis, or prostate cancer ASTRAZENECA AB (SE) 2003-02-11 US disclosed
EP-1173164-A2 ESTROGEN RECEPTOR-BETA LIGANDS AstraZeneca AB (SE) 2002-01-23 EP disclosed
WO-2000062765-A2 ESTROGEN RECEPTOR-β LIGANDS ASTRAZENECA AB (SE) 2000-10-26 WO disclosed