SCHEMBL11409696

SCHEMBL11409696

CCC(=O)OCCCCOCCCCOC(=O)CC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.71
HTT P42858 2/20 0.50
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 1/20 0.42
DGKA P23743 1/20 0.41
HTR2C P28335 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CES2 O00748 1/20 0.40
GAA P10253 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
EPHX1 P07099 1/20 0.39
DNM1 Q05193 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL20293877 0.93 NAAA (0.69) NAAAHTTRAD52NPSR1FAAH
SCHEMBL20293873 0.93 NAAA (0.76) NAAAHTTRAD52NPSR1FAAH
SCHEMBL29519601 0.93 NAAA (0.61) NAAAHTTRAD52NPSR1FAAH
SCHEMBL50185 0.92 NAAA (0.81) NAAAHTTRAD52NPSR1FAAH
SCHEMBL9327523 0.91 NAAA (0.61) NAAAHTTRAD52NPSR1FAAH
SCHEMBL9327529 0.91 NAAA (0.61) NAAAHTTRAD52NPSR1FAAH
SCHEMBL30995658 0.91 NAAA (0.80) NAAAHTTRAD52NPSR1FAAH
SCHEMBL17710652 0.91 NAAA (0.65) NAAAHTTRAD52NPSR1FAAH
SCHEMBL12956536 0.90 NAAA (0.86) NAAAHTTRAD52NPSR1FAAH
SCHEMBL3993048 0.90 NAAA (0.86) NAAAHTTRAD52NPSR1FAAH

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
US-3952071-A ALUMINUM HALIDE-POLYHYDRIC ALCOHOL DERIVATIVE CATALYST LION FAT & OIL CO., LTD. (JA) 1976-04-20 US claimed
US-4214112-A ALUMINUM HALIDE CATALYST HAVING HIGH SELECTIVITY FOR TRIMER THE LION FAT & OIL CO., LTD. (JP) 1980-07-22 US disclosed
US-4066715-A ALCOHOL, ALUMINUM, ALUMINUM HALIDE POLYMERIZATION CATALYST LION FAT & OIL CO., LTD. (JA) 1978-01-03 US disclosed
US-3997622-A POLYHYDRIC ALCOHOL-ALUMINUM HALIDE-ALUMINUM CATALYST LION FAT & OIL CO., LTD. (JA) 1976-12-14 US disclosed
US-3997623-A POLYHYDRIC ESTER-ALUMINUM HALIDE CATALYST LION FAT & OIL CO., LTD. (JA) 1976-12-14 US disclosed
US-3952071-A ALUMINUM HALIDE-POLYHYDRIC ALCOHOL DERIVATIVE CATALYST LION FAT & OIL CO., LTD. (JA) 1976-04-20 US disclosed