SCHEMBL8713491

SCHEMBL8713491

CC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(CCc1ccccc1)O2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.38
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
MMP8 P22894 2/20 0.34
PTPN1 P18031 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BACE1 P56817 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL8309041 0.80 HTR2A (0.41) KDM4ELMNAMEN1ALDH1A1KMT2A
SCHEMBL8597828 0.80 ALOX5 (0.43) ALOX5LMNAMEN1KMT2ACYP2C9
SCHEMBL8716163 0.80 ALOX5 (0.31) ALOX5MEN1KMT2A
SCHEMBL8716107 0.77 BACE1 (0.36) ALOX5GAAL3MBTL1BACE1
SCHEMBL6983850 0.77 MEN1 (0.39) KDM4ELMNAMEN1ALDH1A1KMT2A
SCHEMBL6987101 0.77 ALOX5 (0.34) ALOX5PTPN1LMNAMEN1KMT2A
SCHEMBL6980360 0.76 SLC18A3 (0.40) SMN1; SMN2
SCHEMBL6984138 0.75 ALOX5 (0.34) ALOX5PTPN1MEN1KMT2A
SCHEMBL8716967 0.74 MEN1 (0.36) LMNASMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL6982775 0.71 SLC6A3 (0.37) RAB9ALMNASMN1; SMN2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5770772-A 4-FORMYLAMINO-2,3,5-TRIMETHYL-1-(2-METHYL-2-PROPENYLOXY) -BENZENE; ARTERIOSCLEROSIS, BRAIN AND CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-23 US disclosed
US-5594154-A 5-AMINO-2-BROMOMETHYL-2,4,6,7-TETRAMETHYL-2,3-DIHYDROBENZO(B) FURANS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
US-5478844-A Method of using aminocoumaran derivatives for treating cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-26 US disclosed
EP-0483772-B1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-09-13 EP disclosed
US-5376681-A Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-27 US disclosed
EP-0483772-A1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-05-06 EP disclosed