SCHEMBL9687675

SCHEMBL9687675

COc1ccc(CCCC(=O)O)c(N(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
LTB4R Q15722 2/20 0.49
PDE4B Q07343 1/20 0.48
ALOX5 P09917 1/20 0.46
MTNR1A P48039 2/20 0.45
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
MTNR1B P49286 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
F13A1 P00488 3/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL28587529 0.83 HSD17B10 (0.59) POLBHSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL4419943 0.81 POLB (0.57) POLBLTB4RPDE4BMTNR1AHSD17B10
SCHEMBL11264258 0.80 POLB (0.45) POLBPDE4BHSD17B10ALDH1A1CYP1A2
SCHEMBL24483184 0.80 KMT2A (0.62) POLBLTB4RPDE4BMTNR1AHSD17B10
SCHEMBL27788117 0.80 POLB (0.60) POLBPDE4BMTNR1AHSD17B10MTNR1B
SCHEMBL23386065 0.80 POLB (0.65) POLBPDE4BMTNR1AHSD17B10ALDH1A1
SCHEMBL10767355 0.79 POLB (0.56) POLBLTB4RPDE4BHSD17B10ALDH1A1
SCHEMBL8714213 0.79 POLB (0.56) POLBLTB4RPDE4BHSD17B10ALDH1A1
SCHEMBL11080245 0.79 POLB (0.59) POLBLTB4RPDE4BMTNR1AHSD17B10
SCHEMBL11433418 0.79 HSD17B10 (0.67) POLBMTNR1AHSD17B10MTNR1B

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
EP-0179855-B1 DOPAMINE AGONISTS Whitby Research Incorporated (US) 1992-07-29 EP disclosed
EP-0179855-A4 DOPAMINE AGONISTS. NELSON RES & DEV COMPANY (US) 1986-08-21 EP disclosed
EP-0179855-A1 DOPAMINE AGONISTS. NELSON RES & DEV (US) 1986-05-07 EP disclosed
WO-1985004582-A1 NOVEL DOPAMINE AGONISTS NELSON RESEARCH AND DEVELOPMENT COMPANY (US) 1985-10-24 WO disclosed
US-4540691-A Dopamine agonists and use thereof NELSON RESEARCH & DEVELOPMENT CO. (US) 1985-09-10 US disclosed