SCHEMBL9344193

SCHEMBL9344193

COC1=C(OC)C(=O)C(C2c3ccccc3CCC2CC(=O)O)=C(C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.43
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
PIN1 Q13526 2/20 0.39
PPARD Q03181 4/20 0.38
PDE10A Q9Y233 1/20 0.37
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL9348177 0.90 SLC6A9 (0.41) SLC6A9MTNR1AMTNR1BPIN1PPARD
SCHEMBL9509654 0.90 MTNR1A (0.45) SLC6A9MTNR1AMTNR1BPIN1PPARD
SCHEMBL9345600 0.84 PREP (0.36) SLC6A9MTNR1AMTNR1BPIN1PDE10A
SCHEMBL9348463 0.80 SLC6A2 (0.35) ALDH1A1KDM4EFFAR1
SCHEMBL9343742 0.77 MTNR1B (0.36) MTNR1AMTNR1BALDH1A1
SCHEMBL11472819 0.70 BLM (0.61) MTNR1AMTNR1BPIN1FFAR1
SCHEMBL9348206 0.68 MEN1 (0.36) MTNR1AMTNR1BSIGMAR1
SCHEMBL13834984 0.66 SLC6A9 (0.50) SLC6A9MTNR1AMTNR1BPPARDSIGMAR1
SCHEMBL7845908 0.66 FFAR1 (0.62) MTNR1AMTNR1BPPARDFFAR1
SCHEMBL7847075 0.66 FFAR1 (0.62) MTNR1AMTNR1BPPARDFFAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1165538-A None JP disclosed
US-5288752-A Brain disorders SUNTORY LIMITED (JP) 1994-02-22 US disclosed
EP-0322248-B1 COMPOUNDS EFFECTIVE AGAINST CEREBRAL INSUFFICIENCY SUNTORY LIMITED (JP) 1993-08-04 EP disclosed
US-5057514-A Compounds effective as cerebral schemia treating agents SUNTORY LIMITED (JP) 1991-10-15 US disclosed
JP-H01165538-A TETRALIN DERIVATIVE SUNTORY LTD 1989-06-29 JP disclosed
EP-0322248-A2 Compounds effective against cerebral insufficiency SUNTORY LIMITED (JP) 1989-06-28 EP disclosed