SCHEMBL9348463

SCHEMBL9348463

COC1=C(OC)C(=O)C(C2c3ccccc3SCC2CC(=O)O)=C(C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
FFAR1 O14842 1/20 0.34
IDO1 P14902 2/20 0.34
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
EDNRA P25101 2/20 0.32
EDNRB P24530 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CACNA1C Q13936 1/20 0.31

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
SCHEMBL9344193 0.80 SLC6A9 (0.43) FFAR1ALDH1A1KDM4E
SCHEMBL9348177 0.73 SLC6A9 (0.41) SLC6A3FFAR1MEN1KMT2A
SCHEMBL9509654 0.68 MTNR1A (0.45) FFAR1ALDH1A1
SCHEMBL7698345 0.64 KMT2A (0.34) SLC6A2SLC6A4SLC6A3ALDH1A1EDNRA
SCHEMBL9348206 0.63 MEN1 (0.36) IDO1POLBEDNRAEDNRBMEN1
SCHEMBL9345540 0.62 IDO1 (0.35) IDO1ALDH1A1HSD17B10KDM4EPOLB
SCHEMBL8650579 0.61 TSHR (0.46) FFAR1IDO1ALDH1A1HSD17B10POLB
SCHEMBL10895693 0.61 KMT2A (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1POLB
SCHEMBL10896122 0.60 TSHR (0.45) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL7698344 0.60 IDO1 (0.40) IDO1ALDH1A1EDNRAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5179092-A Cognition activators SUNTORY LIMITED (JP) 1993-01-12 US disclosed
US-5057514-A Compounds effective as cerebral schemia treating agents SUNTORY LIMITED (JP) 1991-10-15 US disclosed
EP-0322248-A2 Compounds effective against cerebral insufficiency SUNTORY LIMITED (JP) 1989-06-28 EP disclosed