SCHEMBL8399607

SCHEMBL8399607

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.50
FABP5 Q01469 1/20 0.50
ALDH1A1 P00352 5/20 0.46
CYP1A2 P05177 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.43
F2 P00734 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL8399606 0.95 ALDH1A1 (0.50) FABP7FABP5ALDH1A1L3MBTL1MAPK1
SCHEMBL8397951 0.88 ALDH1A1 (0.47) FABP7FABP5ALDH1A1KMT2ANPC1
SCHEMBL8397955 0.88 ALDH1A1 (0.47) FABP7FABP5ALDH1A1KMT2ANPC1
SCHEMBL8397958 0.88 ALDH1A1 (0.47) FABP7FABP5ALDH1A1KMT2ANPC1
SCHEMBL25245808 0.83 ALDH1A1 (0.56) FABP7FABP5ALDH1A1CYP1A2L3MBTL1
SCHEMBL12986806 0.83 ALDH1A1 (0.56) FABP7FABP5ALDH1A1CYP1A2L3MBTL1
SCHEMBL12986807 0.83 ALDH1A1 (0.56) FABP7FABP5ALDH1A1CYP1A2L3MBTL1
SCHEMBL20243976 0.83 ALDH1A1 (0.45) FABP7FABP5ALDH1A1L3MBTL1MAPK1
SCHEMBL8401362 0.83 MAPT (0.47) ALDH1A1KMT2ARAB9ATSHRGAA
SCHEMBL4822683 0.83 MAPT (0.47) ALDH1A1KMT2ARAB9ATSHRGAA

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