SCHEMBL17813094

SCHEMBL17813094

COc1cccc(/C=C\C(C)=C2\C[C@@H]2C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ NFE2L2 Q16236 4/20 0.42
▸ TFEB P19484 1/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ TLR2 O60603 1/20 0.40
▸ ERN1 O75460 1/20 0.40
▸ TLR1 Q15399 1/20 0.40
▸ TLR6 Q9Y2C9 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ BCHE P06276 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ LY96 Q9Y6Y9 1/20 0.37

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
SCHEMBL19732049 0.75 KDM4E (0.51) KDM4ENFE2L2TFEBKMT2ATLR2
SCHEMBL15481174 0.75 KDM4E (0.51) KDM4ENFE2L2TFEBKMT2ATLR2
SCHEMBL31689790 0.74 NFE2L2 (0.55) KDM4ENFE2L2TFEBTLR2ERN1
SCHEMBL31689795 0.74 NFE2L2 (0.55) KDM4ENFE2L2TFEBTLR2ERN1
SCHEMBL9689786 0.72 KDM4E (0.68) KDM4ENFE2L2TFEBMAPTNPC1
SCHEMBL16831490 0.72 KDM4E (0.68) KDM4ENFE2L2TFEBMAPTNPC1
SCHEMBL15481173 0.68 MAPT (0.54) KDM4ENFE2L2TFEBKMT2AMAPT
SCHEMBL16852753 0.68 KDM4E (0.55) KDM4ENFE2L2TFEBKMT2AMAPT
SCHEMBL16961832 0.67 TLR2 (0.50) KDM4ENFE2L2TFEBTLR2ERN1
SCHEMBL17379744 0.65 NFE2L2 (0.46) KDM4ENFE2L2TFEBTLR2ERN1

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
WO-2016090371-A2 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS An2H Discovery Limited (US) 2016-06-09 — — WO disclosed
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