SCHEMBL15945801

SCHEMBL15945801

COc1ccc(-c2cc(-c3ccc(OC)cc3)c3ccc4c(-c5ccc(CO)cc5)cc(-c5ccc(CO)cc5)c5ccc2c3c54)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ GRM2 Q14416 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ GRK6 P43250 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ MAOB P27338 2/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ BCR P11274 1/20 0.42
▸ BACE1 P56817 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL14498831 0.90 ABL1 (0.51) CYP11B1CYP11B2ABL1ABCB1BCR
SCHEMBL13251023 0.88 ABL1 (0.52) NOD2POLBGRM2GAAGRK6
SCHEMBL6285826 0.82 MAOB (0.59) CYP11B1CYP11B2MAOBSMN1; SMN2ALDH1A1
SCHEMBL13251065 0.81 ACACA (0.59) ABL1ABCB1BCRBACE1SMN1; SMN2
SCHEMBL13079694 0.80 NPC1 (0.57) CYP11B1CYP11B2MAOBABL1ABCB1
SCHEMBL12386386 0.80 NPC1 (0.57) CYP11B1CYP11B2MAOBABL1ABCB1
SCHEMBL12126759 0.80 ACACA (0.46) NOD2GRM2CYP11B1CYP11B2ABL1
SCHEMBL4181089 0.80 IDO1 (0.58) SMN1; SMN2ALDH1A1TP53
SCHEMBL27329 0.80 IDO1 (0.58) SMN1; SMN2ALDH1A1TP53
SCHEMBL13251086 0.79 NPC1 (0.49) NOD2GRM2MAOBABL1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140225085-A1 Organoelectroluminescent Element, and Light Emission Device, Display Device, and Illumination Device in which Said Organoelectroluminescent Element is Used UDC IRELAND LIMITED (IE) 2014-08-14 — — US disclosed
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