SCHEMBL8102267

SCHEMBL8102267

C=C(C=CC(=O)O)C(=O)OCCCCCC.C=CC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.50
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 5/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.42
CETP P11597 3/20 0.40
PLA2G2D Q9UNK4 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
TGM2 P21980 1/20 0.39

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
Fumaric Acid SCHEMBL8095916 0.91 HCAR2 (0.57) HCAR2ALDH1A1LMNAL3MBTL1KDM4E
Maleic Acid SCHEMBL8095912 0.91 HCAR2 (0.57) HCAR2ALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL9638004 0.86 TSHR (0.57) HCAR2ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL28268541 0.86 TSHR (0.57) HCAR2ALDH1A1LMNAL3MBTL1MAPT
Acrylic Acid SCHEMBL8102270 0.86 TSHR (0.54) HCAR2ALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL8418367 0.86 TSHR (0.57) HCAR2ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL11662783 0.86 TSHR (0.57) HCAR2ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL8096651 0.85 TSHR (0.43) HCAR2ALDH1A1LMNAL3MBTL1KDM4E
Styrene SCHEMBL8094495 0.83 HCAR2 (0.49) HCAR2ALDH1A1LMNAL3MBTL1KDM4E
Methacrylic Acid SCHEMBL8096653 0.83 TSHR (0.50) HCAR2ALDH1A1LMNAL3MBTL1MAPT

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-5886065-A WATERFASTNESS, NON-FLOCCULATING HEWLETT-PACKARD COMPANY (US) 1999-03-23 US claimed
US-6034153-A STABLE COLORANT HEWLETT-PACKARD COMPANY (US) 2000-03-07 US disclosed
US-5886065-A WATERFASTNESS, NON-FLOCCULATING HEWLETT-PACKARD COMPANY (US) 1999-03-23 US disclosed