SCHEMBL4069437

SCHEMBL4069437

O=C(CCC1CCCCC1)Nc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.71
KLK7 P49862 2/20 0.70
ALDH1A1 P00352 7/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
NPC1 O15118 1/20 0.67
HPGD P15428 1/20 0.67
NFKB1 P19838 1/20 0.67
RAB9A P51151 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
HSD17B10 Q99714 1/20 0.67
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
TDP1 Q9NUW8 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
MAPT P10636 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
NPSR1 Q6W5P4 3/20 0.63

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
SCHEMBL29086702 1.00 EPHX2 (0.71) EPHX2KLK7ALDH1A1SMN1; SMN2NPC1
SCHEMBL29086653 0.98 KLK7 (0.72) EPHX2KLK7ALDH1A1SMN1; SMN2NPC1
SCHEMBL28421952 0.91 EPHX2 (0.68) EPHX2KLK7ALDH1A1SMN1; SMN2NPC1
SCHEMBL28424785 0.89 MEN1 (0.67) EPHX2KLK7ALDH1A1SMN1; SMN2NPC1
SCHEMBL30979855 0.89 EPHX2 (0.65) EPHX2KLK7ALDH1A1SMN1; SMN2NPC1
SCHEMBL11731614 0.86 ALDH1A1 (0.70) EPHX2KLK7ALDH1A1SMN1; SMN2NPC1
SCHEMBL1947822 0.85 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2NPC1HPGDNFKB1
SCHEMBL11730422 0.84 ALDH1A1 (0.67) KLK7ALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL9845442 0.84 LDLR (0.69) KLK7ALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL6508976 0.84 KMT2A (0.67) EPHX2KLK7ALDH1A1SMN1; SMN2NPC1

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
CN-116874448-A Hydrazine and air mediated non-activated C (sp 3 ) Method for adding-H bond to electron-deficient olefin 昆明理工大学 2023-10-13 CN disclosed
CN-115556441-A Decorative film and method for producing decorative molded body using same 日本聚丙烯株式会社 2023-01-03 CN disclosed
CN-115556446-A Decorative film and method for producing decorative molded body using same 日本聚丙烯株式会社 2023-01-03 CN disclosed
EP-3884934-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2021-09-29 EP disclosed
CN-111386185-A Decorative film and method for producing decorative molded body using same 日本聚丙烯株式会社 2020-07-07 CN disclosed
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed