SCHEMBL6788079

SCHEMBL6788079

COc1cc2c(c(OC)c1OC)C=C(/C=C/C(=O)N1CCN(C(=O)/C=C/C3=Cc4c(cc(OC)c(OC)c4OC)CC3)CC1)CC2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 4/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.41
STAT6 P42226 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACHE P22303 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5569531 0.92 ALDH1A1 (0.47) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL5569532 0.92 ALDH1A1 (0.47) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL4645198 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL5570694 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL6785483 0.79 KMT2A (0.51) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL6794084 0.78 ALDH1A1 (0.55) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL4270404 0.77 KMT2A (0.55) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL4644972 0.77 KMT2A (0.42) KDM4EKMT2AMEN1
SCHEMBL6787091 0.76 ATM (0.41) KDM4EALDH1A1KMT2AMEN1ATM
SCHEMBL6786054 0.69 KDM4E (0.52) KDM4EALDH1A1HPGDKMT2AMEN1

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
US-6828316-B2 Antiallergens KOWA CO., LTD. (JP) 2004-12-07 US disclosed
US-6340682-B1 FOR THERAPY OF ALLERGIC IMMUNOLOGICAL DISEASE IS SELECTED FROM ASTHMA, ALLERGIC RHINITIS, INFLAMMATORY LARGE BOWEL DISEASE OR CONTACT DERMATITIS KOWA CO., LTD. (JP) 2002-01-22 US disclosed
EP-0926138-A1 DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-06-30 EP disclosed