SCHEMBL3935826

SCHEMBL3935826

CC(C)(C)c1ccc(-c2ncccc2C(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 1/20 0.60
KMT2A Q03164 1/20 0.60
TRPV1 Q8NER1 16/20 0.53

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
SCHEMBL29978735 0.84 TDP1 (0.61) KDM4ETDP1ALDH1A1KMT2ATRPV1
SCHEMBL4197626 0.84 TDP1 (0.61) KDM4ETDP1ALDH1A1KMT2ATRPV1
Hydrochloric Acid SCHEMBL6201867 0.83 KDM4E (0.59) KDM4ETDP1ALDH1A1KMT2ATRPV1
SCHEMBL14564497 0.82 KDM4E (0.67) KDM4ETDP1ALDH1A1KMT2ATRPV1
SCHEMBL912675 0.81 KDM4E (0.77) KDM4ETDP1ALDH1A1KMT2A
SCHEMBL31586013 0.81 KDM4E (0.77) KDM4ETDP1ALDH1A1KMT2A
SCHEMBL2557875 0.79 KDM4E (0.62) KDM4ETDP1ALDH1A1TRPV1
SCHEMBL4157627 0.79 POLB (0.56) KDM4ETDP1ALDH1A1KMT2ATRPV1
SCHEMBL31676801 0.79 KDM4E (0.67) KDM4ETDP1ALDH1A1KMT2ATRPV1
SCHEMBL3712467 0.79 KDM4E (0.67) KDM4ETDP1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009014674-A1 HETEROCYCLYLAMIDES AS GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
WO-2009014674-A1 HETEROCYCLYLAMIDES AS GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed