SCHEMBL9773151

SCHEMBL9773151

O=C(CCC(O)c1ccccc1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
LMNA P02545 1/20 0.46
CDC25B P30305 1/20 0.46
MEN1 O00255 2/20 0.44
HPGD P15428 1/20 0.44
NOTUM Q6P988 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL7346034 1.00 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL12990296 0.85 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL27323312 0.83 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL27974233 0.83 MEN1 (0.47) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A3
SCHEMBL27974234 0.83 MEN1 (0.47) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A3
SCHEMBL17726803 0.82 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL8327125 0.82 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL8989009 0.82 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL8734619 0.82 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL2512047 0.82 CYP3A4 (0.49) ALDH1A1LMNAMAPT

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-5043346-A Amino acid esters, pharmaceuticals containing them, and the use thereof in learning disorders HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed