SCHEMBL22760108

SCHEMBL22760108

CCOCCOc1ccc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
MMP14 P50281 2/20 0.33
MMP13 P45452 1/20 0.33
NCF1 P14598 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
PRKDC P78527 1/20 0.32
THRA P10827 1/20 0.32
MAPT P10636 1/20 0.32
ABCB1 P08183 1/20 0.31
ABCC1 P33527 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 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
SCHEMBL26459763 0.94 ALDH1A1 (0.36) GABBR2GABBR1ALDH1A1HPGDMAPT
SCHEMBL14175645 0.91 APP (0.35) GABBR2GABBR1ALDH1A1HPGDABCB1
SCHEMBL26459778 0.90 ALDH1A1 (0.35) GABBR2GABBR1ALDH1A1HPGDMAPT
SCHEMBL39521 0.90 ALDH1A1 (0.36) GABBR2GABBR1ALDH1A1HPGDMAPT
SCHEMBL29413923 0.90 ALDH1A1 (0.36) GABBR2GABBR1ALDH1A1HPGDMAPT
SCHEMBL18497002 0.90 ALDH2 (0.36) GABBR2GABBR1ALDH1A1HPGDABCB1
SCHEMBL30172563 0.90 ALDH2 (0.36) GABBR2GABBR1ALDH1A1HPGDABCB1
SCHEMBL13525828 0.90 ALDH2 (0.36) GABBR2GABBR1ALDH1A1HPGDABCB1
SCHEMBL30450985 0.89 LMNA (0.36) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL27334072 0.89 LMNA (0.36) ALDH1A1MAPTMEN1KMT2ACYP3A4

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-20200385570-A1 POLYCARBONATE COMPOSITIONS BASF SE (DE) 2020-12-10 US disclosed