SCHEMBL5334623

SCHEMBL5334623

CC(C)C(=O)O.c1cc2ccc1o2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTGS2 P35354 5/20 0.35
GAA P10253 1/20 0.34
PTGS1 P23219 4/20 0.33
LMNA P02545 2/20 0.33
CYP2C9 P11712 2/20 0.33
AKR1C3 P42330 2/20 0.33
CXCR1 P25024 2/20 0.33
CXCR2 P25025 2/20 0.33
CYP2D6 P10635 1/20 0.33
ALB P02768 1/20 0.33
ESR1 P03372 1/20 0.33
ALOX5 P09917 1/20 0.33
RARB P10826 1/20 0.33
ADRB3 P13945 1/20 0.33

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
Acetic Acid SCHEMBL7758558 0.80 FFAR3 (0.44) ALDH1A1KMT2ATP53MEN1MAPT
Isopropyl Alcohol SCHEMBL20590526 0.77 ALDH1A1 (0.40) ALDH1A1LMNA
SCHEMBL11835743 0.75 PTGS2 (0.56) TP53MAPTPTGS2GAACYP2C9
SCHEMBL27585462 0.75 PTGS2 (0.56) TP53MAPTPTGS2GAACYP2C9
Propionic Acid SCHEMBL3926460 0.74 FFAR3 (0.53) ALDH1A1MAPTGAA
Benzene SCHEMBL8850413 0.73 TP53 (0.53) ALDH1A1KMT2ATP53MEN1MAPT
SCHEMBL2531259 0.72 TP53 (0.61) ALDH1A1KMT2ATP53MEN1MAPT
SCHEMBL5940223 0.72 TP53 (0.61) ALDH1A1KMT2ATP53MEN1MAPT
SCHEMBL405938 0.72 TP53 (0.61) ALDH1A1KMT2ATP53MEN1MAPT
SCHEMBL17767389 0.72 TP53 (0.61) ALDH1A1KMT2ATP53MEN1MAPT

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
WO-2007044309-A2 DEVICE AND METHOD FOR INHIBITING AGE COMPLEX FORMATION VASIX CORPORATION (US) 2007-04-19 WO disclosed