SCHEMBL9546062

SCHEMBL9546062

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.47
PTGS1 P23219 4/20 0.44
PTGS2 P35354 4/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 2/20 0.44
AKR1C3 P42330 2/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
ESR1 P03372 2/20 0.44
BLM P54132 2/20 0.44
ALOX5 P09917 2/20 0.44
ALB P02768 1/20 0.44
RARB P10826 1/20 0.44
ADRB3 P13945 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR2A P28223 1/20 0.44
NR1I3 Q14994 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
CXCL8 P10145 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL10485950 0.99 FFAR1 (0.46) FFAR1PTGS1PTGS2LMNACYP2C9
SCHEMBL10486233 0.87 FAAH (0.40) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL10602088 0.87 FFAR1 (0.46) FFAR1LMNABLMACHEITGB1
SCHEMBL5572746 0.82 PTGS1 (0.62) FFAR1PTGS1PTGS2LMNACYP2C9
SCHEMBL3972122 0.82 PTGS1 (0.62) FFAR1PTGS1PTGS2LMNACYP2C9
SCHEMBL10485710 0.81 ANPEP (0.46) FFAR1PTGS1PTGS2LMNACYP2C9
SCHEMBL9546047 0.80 POLB (0.44) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL10485939 0.80 FFAR1 (0.49) FFAR1LMNABLM
SCHEMBL10485933 0.80 BLM (0.47) FFAR1PTGS1PTGS2LMNACYP2C9
SCHEMBL10485947 0.79 OPRK1 (0.40) PTGS1PTGS2LMNACYP2C9AKR1C3

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 7 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 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
EP-0194693-B1 POLYPRENYL COMPOUNDS, PROCESSES FOR PREPARING THEM, AND PHARMACEUTICAL COMPOSITION CONTAINING THEM Eisai Co., Ltd. (JP) 1989-07-26 EP disclosed
US-4788330-A Polyprenyl compounds EISAI CO., LTD. (JP) 1988-11-29 US disclosed
EP-0194693-A1 Polyprenyl compounds, processes for preparing them, and pharmaceutical composition containing them Eisai Co., Ltd. (JP) 1986-09-17 EP disclosed