SCHEMBL14175644

SCHEMBL14175644

COCCCCCC(=O)OCCOc1ccc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HDAC1 Q13547 2/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
FFAR1 O14842 1/20 0.32
PTGER2 P43116 1/20 0.32
KDM4E B2RXH2 3/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31

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
SCHEMBL12679255 0.95 MEN1 (0.35) ALDH2MAOAMAOBMEN1KMT2A
SCHEMBL30172510 0.92 ALDH2 (0.35) ALDH2MAOAMAOBMEN1KMT2A
SCHEMBL21596653 0.92 ALDH2 (0.35) ALDH2MAOAMAOBMEN1KMT2A
SCHEMBL20610187 0.92 ALDH2 (0.35) ALDH2MAOAMAOBMEN1KMT2A
SCHEMBL18497009 0.92 ALDH2 (0.35) ALDH2MAOAMAOBMEN1KMT2A
SCHEMBL39389 0.92 DGKA (0.37) ALDH2MAOAMAOBCNR2
SCHEMBL21176407 0.92 DGKA (0.37) ALDH2MAOAMAOBCNR2
SCHEMBL29413921 0.92 DGKA (0.37) ALDH2MAOAMAOBCNR2
SCHEMBL29880580 0.92 DGKA (0.37) ALDH2MAOAMAOBCNR2
SCHEMBL13525823 0.92 ALDH2 (0.35) ALDH2MAOAMAOBMEN1KMT2A

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-7390912-B2 Lactone stabilizing compositions MILLIKEN & COMPANY (US) 2008-06-24 US disclosed