SCHEMBL8000403

SCHEMBL8000403

CC(=O)Oc1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.57
PTPN1 P18031 1/20 0.57
NR4A2 P43354 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SRD5A2 P31213 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
ALOX5 P09917 2/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
TOP1 P11387 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL4363943 0.94 MAOB (0.57) MAOBPTPN1NR4A2ALDH1A1SRD5A2
SCHEMBL6702501 0.94 PTPN1 (0.57) MAOBPTPN1NR4A2ALDH1A1SRD5A2
SCHEMBL18066376 0.93 ALDH1A1 (0.54) MAOBPTPN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL19712578 0.92 MAOB (0.55) MAOBPTPN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6199290 0.92 MTNR1A (0.57) MAOBPTPN1HTTSMN1; SMN2SMPD1
SCHEMBL18066374 0.91 PTPN1 (0.51) MAOBPTPN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL18066371 0.91 PTPN1 (0.51) MAOBPTPN1ALDH1A1L3MBTL1ALOX5
SCHEMBL6195352 0.89 MAOB (0.55) MAOBPTPN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL27934106 0.88 MAOB (0.49) MAOBPTPN1ALDH1A1SRD5A2HTT
SCHEMBL4847906 0.87 PTPN1 (0.63) MAOBPTPN1NR4A2ALDH1A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288096-B1 ANTIDIABETIC AGENTS, HYPOTENSIVE AGENTS, AND ANTICHOLESTEROL AGENTS ASTRAZENECA AB (SE) 2001-09-11 US disclosed
US-4990511-A Amide compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-02-05 US disclosed
EP-0353753-A1 Amide compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-02-07 EP disclosed
EP-0311517-A2 Amide compound having glutamate receptor inhibiting activity Takeda Chemical Industries, Ltd. (JP) 1989-04-12 EP disclosed