SCHEMBL9344111

SCHEMBL9344111

CCOC(=O)CCC1(C(=O)OCC)CCc2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
NOTUM Q6P988 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
BRD4 O60885 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
GPR119 Q8TDV5 4/20 0.39
OPRM1 P35372 2/20 0.39
SLC22A1 O15245 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL8535967 0.93 BRD4 (0.43) ALDH1A1NOTUMGAASMN1; SMN2BRD4
SCHEMBL9505686 0.92 OPRM1 (0.41) ALDH1A1SMN1; SMN2KDM4EHPGDTDP1
SCHEMBL13998334 0.92 SMN1; SMN2 (0.40) ALDH1A1NOTUMGAASMN1; SMN2BRD4
SCHEMBL29423728 0.90 MAPT (0.38) ALDH1A1NOTUMGAASMN1; SMN2BRD4
SCHEMBL22692132 0.90 MAPT (0.38) ALDH1A1NOTUMGAASMN1; SMN2BRD4
SCHEMBL9344178 0.89 ALDH1A1 (0.42) ALDH1A1NOTUMGAASMN1; SMN2BRD4
SCHEMBL22692122 0.84 BRD4 (0.39) ALDH1A1NOTUMGAASMN1; SMN2BRD4
SCHEMBL29423722 0.84 BRD4 (0.39) ALDH1A1NOTUMGAASMN1; SMN2BRD4
SCHEMBL6250430 0.80 ALDH1A1 (0.44) ALDH1A1NOTUMGAASMN1; SMN2KDM4E
SCHEMBL7163925 0.80 NAMPT (0.44) ALDH1A1NOTUMGAASMN1; SMN2BRD4

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-5292768-A Compound effective as cerebral insufficiency improver SUNTORY LIMITED (JP) 1994-03-08 US disclosed
US-5288752-A Brain disorders SUNTORY LIMITED (JP) 1994-02-22 US 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