SCHEMBL9546047

SCHEMBL9546047

CC(C)CCCC(C)Cc1ccc(C(C)CC(=O)NCCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
OPRK1 P41145 3/20 0.41
OPRM1 P35372 2/20 0.41
RAB9A P51151 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
FAAH O00519 1/20 0.35
CHRM1 P11229 1/20 0.35
PDE4A P27815 1/20 0.35
ALB P02768 1/20 0.35

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
SCHEMBL10603712 0.89 POLB (0.49) POLBALDH1A1HPGDOPRK1OPRM1
SCHEMBL10485777 0.85 OPRM1 (0.43) POLBALDH1A1HPGDOPRK1OPRM1
SCHEMBL10485947 0.84 OPRK1 (0.40) POLBALDH1A1HPGDOPRK1OPRM1
SCHEMBL10485707 0.81 OPRK1 (0.40) POLBALDH1A1HPGDOPRK1OPRM1
SCHEMBL9546062 0.80 FFAR1 (0.47) TSHRLMNAFAAHCHRM1PDE4A
SCHEMBL10604919 0.80 SMN1; SMN2 (0.48) POLBALDH1A1HPGDRAB9ACYP3A4
SCHEMBL10485950 0.79 FFAR1 (0.46) TSHRLMNAFAAHCHRM1PDE4A
SCHEMBL10486233 0.79 FAAH (0.40) TSHRLMNAFAAHCHRM1PDE4A
SCHEMBL10605338 0.79 SMN1; SMN2 (0.47) POLBALDH1A1HPGDRAB9ACYP3A4
SCHEMBL10606790 0.79 SMN1; SMN2 (0.47) POLBALDH1A1HPGDRAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337350-B1 USE OF DIMETHYLHEPTYLPHENYL BUTANOYL ETHANOLAMINE IN TREATMENT OF HYPERURICEMIA Eisai Co., Ltd. (JP) 1993-07-07 EP claimed
US-4883821-A N-(3-(4'-(2\",6\"-DIMETHYLHEPTYL)PHENYL)BUTANOYL)-ETHANOLAMINE EISAI CO., LTD. (JP) 1989-11-28 US claimed
EP-0337350-A2 Use of dimethylheptylphenyl butanoyl ethanolamine in treatment of hyperuricemia Eisai Co., Ltd. (JP) 1989-10-18 EP claimed
EP-0194693-B1 POLYPRENYL COMPOUNDS, PROCESSES FOR PREPARING THEM, AND PHARMACEUTICAL COMPOSITION CONTAINING THEM Eisai Co., Ltd. (JP) 1989-07-26 EP claimed
JP-2028113-A None JP disclosed
EP-0337350-B1 USE OF DIMETHYLHEPTYLPHENYL BUTANOYL ETHANOLAMINE IN TREATMENT OF HYPERURICEMIA Eisai Co., Ltd. (JP) 1993-07-07 EP disclosed
JP-H0228113-A IMPROVING AND TREATING AGENT FOR HYPERURICEMIA EISAI CO LTD 1990-01-30 JP disclosed
US-4883821-A N-(3-(4'-(2\",6\"-DIMETHYLHEPTYL)PHENYL)BUTANOYL)-ETHANOLAMINE EISAI CO., LTD. (JP) 1989-11-28 US disclosed
US-4883916-A ANTICHOLESTEROL, ANTIARTERIOSCELEROSIS EISAI CO., LTD. (JP) 1989-11-28 US disclosed
EP-0337350-A2 Use of dimethylheptylphenyl butanoyl ethanolamine in treatment of hyperuricemia Eisai Co., Ltd. (JP) 1989-10-18 EP disclosed
US-4788330-A Polyprenyl compounds EISAI CO., LTD. (JP) 1988-11-29 US disclosed