SCHEMBL5679807

SCHEMBL5679807

COc1cc(-c2ccc(CN3CCCN(Cc4ccc(-c5cc(OC)c(OC)c(OC)c5)cc4)CC3)cc2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
CHKA P35790 4/20 0.58
TGFBR1 P36897 1/20 0.58
ACVR1 Q04771 1/20 0.58
POLB P06746 2/20 0.55
HRH3 Q9Y5N1 2/20 0.53
HRH4 Q9H3N8 1/20 0.53
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
THRB P10828 1/20 0.51
SLC29A1 Q99808 1/20 0.51

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
SCHEMBL6568492 0.95 TGFBR1 (0.62) KDM4ECHKATGFBR1ACVR1POLB
SCHEMBL7236258 0.86 TGFBR1 (0.54) KDM4ETGFBR1ACVR1POLBMEN1
SCHEMBL5683255 0.85 DRD4 (0.58) KDM4EPOLBMEN1ALDH1A1KMT2A
SCHEMBL4773743 0.82 TGFBR1 (0.53) KDM4ETGFBR1ACVR1POLBMEN1
SCHEMBL5572636 0.82 POLB (0.76) KDM4ECHKAPOLBMEN1ALDH1A1
SCHEMBL5679814 0.81 KDM4E (0.53) KDM4ETGFBR1ACVR1POLBMEN1
Hydrochloric Acid SCHEMBL5572656 0.81 POLB (0.74) KDM4ECHKAPOLBMEN1ALDH1A1
SCHEMBL6565335 0.81 KDM4E (0.56) KDM4ETGFBR1ACVR1POLBMEN1
SCHEMBL5681800 0.79 DRD4 (0.62) KDM4EPOLBMEN1ALDH1A1KMT2A
SCHEMBL9832407 0.79 KDM4E (0.81) KDM4EPOLBMEN1ALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403249-B1 CYCLIC DIAMINE COMPOUNDS BEARING SIX-MEMBERED CYCLIC GROUPS KOWA CO (JP) 2006-03-15 EP disclosed
EP-1403249-A1 CYCLIC DIAMINE COMPOUNDS BEARING SIX-MEMBERED CYCLIC GROUPS Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
US-6509329-B1 Inhibitory effects on both cell adhesion and cell infiltration and is useful as a medicine for prevention or treatment of diseases such as allergy, asthma, rheumatism, arteriosclerosis and inflammation KOWA CO., LTD. (JP) 2003-01-21 US disclosed