SCHEMBL14845446

SCHEMBL14845446

C=CC(=O)OC(C)(C)C(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
AOC3 Q16853 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.37
THRB P10828 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
LMNA P02545 4/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL31305874 0.83 HCAR2 (0.54) RIPK1AOC3L3MBTL1TDP1ATM
SCHEMBL27742484 0.79 RIPK1 (0.34) RIPK1L3MBTL1ATMTHRBHCAR2
SCHEMBL19055850 0.77 THRB (0.48) RIPK1AOC3L3MBTL1ATMTHRB
Phenylpropanol SCHEMBL28266055 0.76 LMNA (0.54) RIPK1THRBLMNACYP2C19MAPT
SCHEMBL13302905 0.74 RIPK1 (0.41) RIPK1AOC3L3MBTL1TDP1ATM
SCHEMBL3169549 0.74 CYP2C19 (0.46) THRBCES1CYP2C19MAPTMAPK1
SCHEMBL28722591 0.74 CYP2C19 (0.38) RIPK1L3MBTL1HPGDATMTHRB
SCHEMBL5675523 0.74 LMNA (0.40) RIPK1AOC3L3MBTL1ATMTHRB
Styrene SCHEMBL6903124 0.73 ALDH1A1 (0.48) TDP1HPGDTHRBLMNACYP2C19
Styrene SCHEMBL5008696 0.73 ALDH1A1 (0.48) TDP1HPGDTHRBLMNACYP2C19

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
US-8414982-B2 Process for the production of strongly adherent coatings BASF SE (DE) 2013-04-09 US disclosed
US-8414982-B2 Process for the production of strongly adherent coatings BASF SE (DE) 2013-04-09 US disclosed