SCHEMBL8399606

SCHEMBL8399606

O=C(OCc1ccccc1)[C@H]1Cc2ccccc2C[C@@H]1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
FABP7 O15540 1/20 0.50
FABP5 Q01469 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
F2 P00734 1/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45

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
SCHEMBL8399607 0.95 FABP7 (0.50) ALDH1A1FABP7FABP5L3MBTL1MAPK1
SCHEMBL8397955 0.92 ALDH1A1 (0.47) ALDH1A1FABP7FABP5KMT2ATSHR
SCHEMBL8397951 0.92 ALDH1A1 (0.47) ALDH1A1FABP7FABP5KMT2ATSHR
SCHEMBL8397958 0.92 ALDH1A1 (0.47) ALDH1A1FABP7FABP5KMT2ATSHR
SCHEMBL20243976 0.87 ALDH1A1 (0.45) ALDH1A1FABP7FABP5L3MBTL1MAPK1
SCHEMBL14618064 0.86 ALDH1A1 (0.50) ALDH1A1FABP7FABP5L3MBTL1MAPK1
SCHEMBL18562169 0.86 ALDH1A1 (0.50) ALDH1A1FABP7FABP5L3MBTL1MAPK1
SCHEMBL25245808 0.81 ALDH1A1 (0.56) ALDH1A1FABP7FABP5L3MBTL1MAPK1
SCHEMBL16347238 0.81 TSHR (0.55) ALDH1A1FABP7FABP5L3MBTL1MAPK1
SCHEMBL12986806 0.81 ALDH1A1 (0.56) ALDH1A1FABP7FABP5L3MBTL1MAPK1

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-5869518-A USEFUL IN THE TREATMENT OF OBESITY AND HYPERGLYCEMIA SYNTHELABO (FR) 1999-02-09 US disclosed