SCHEMBL9063848

SCHEMBL9063848

COc1cc(OC)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1OC

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP1B1 Q16678 1/20 0.58
▸ BCL9 O00512 11/20 0.55
▸ CTNNB1 P35222 11/20 0.55
▸ ABCB1 P08183 1/20 0.55
▸ ABCG2 Q9UNQ0 1/20 0.55
▸ ALOX5 P09917 3/20 0.55
▸ MAPT P10636 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 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
SCHEMBL30669273 1.00 CYP1A1 (0.58) CYP1A1CYP1A2CYP1B1BCL9CTNNB1
SCHEMBL9063296 0.84 CYP3A4 (0.60) CYP1A1CYP1A2CYP1B1ABCB1ABCG2
SCHEMBL15477918 0.83 KDM4E (0.68) CYP1A1CYP1A2CYP1B1ABCB1ABCG2
SCHEMBL29691925 0.83 KDM4E (0.68) CYP1A1CYP1A2CYP1B1ABCB1ABCG2
SCHEMBL988273 0.83 ABCB1 (0.78) BCL9CTNNB1ABCB1ABCG2ALOX5
SCHEMBL9063795 0.81 ABCB1 (0.70) CYP1A2ABCB1ABCG2ALOX5MAPT
SCHEMBL16894627 0.80 ADORA3 (0.64) BCL9CTNNB1ABCB1ABCG2ALOX5
SCHEMBL31065460 0.79 ALDH1A1 (0.68) BCL9CTNNB1ABCB1ABCG2ALOX5
Meliternatin SCHEMBL9063713 0.77 CYP1A2 (0.55) CYP1A1CYP1A2CYP1B1ABCB1ABCG2
SCHEMBL7655709 0.76 CYP1A2 (0.64) CYP1A1CYP1A2CYP1B1ABCB1ABCG2

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
CN-102875539-A Method for preparing meliternin NANJING ZELANG AGRI DEV CO LTD 2013-01-16 — — CN claimed
CN-102875539-A Method for preparing meliternin NANJING ZELANG AGRI DEV CO LTD 2013-01-16 — — CN disclosed
CN-102875539-A Method for preparing meliternin NANJING ZELANG AGRI DEV CO LTD 2013-01-16 — — CN disclosed
CN-102875539-A Method for preparing meliternin NANJING ZELANG AGRI DEV CO LTD 2013-01-16 — — CN disclosed
EP-0742012-A2 Pharmaceutical composition containing substance inhibiting HSP47 production Kureha Chemical Industry Co., Ltd. (JP) 1996-11-13 — — EP disclosed
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