SCHEMBL3128654

SCHEMBL3128654

C=Cc1cc(C)cc[n+]1[O-]

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC8 Q9BY41 2/20 0.36

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
SCHEMBL26792770 0.77 HDAC8 (0.52) TP53TDP1HDAC8
SCHEMBL5864993 0.72 CHAT (0.48)
SCHEMBL2579946 0.71
SCHEMBL2955400 0.70 ACHE (0.35)
SCHEMBL29502328 0.70
SCHEMBL6136491 0.69
SCHEMBL29490961 0.67
SCHEMBL79940 0.67
Hydrochloric Acid SCHEMBL5953441 0.67 ALDH1A1 (0.36) HDAC8
SCHEMBL942792 0.67

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-7728063-B2 Copolymers comprising N-heterocyclic groups, and use thereof as an additive in detergents BASF AKTIENGESELLSCHAFT (DE) 2010-06-01 US disclosed
US-20100004154-A1 THERMALLY SENSITIVE POLYMERIC DYE TRANSFER INHIBITOR BASF SE (DE) 2010-01-07 US disclosed
US-20070244023-A1 Copolymers Comprising N-Heterocyclic Groups, And Use Thereof As An Additive In Detergents BASF AKTIENGESELLSCHAFT (DE) 2007-10-18 US disclosed