SCHEMBL8718408

SCHEMBL8718408

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.36
CYP1A2 P05177 2/20 0.36
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
EZH2 Q15910 1/20 0.34
TSHR P16473 3/20 0.33
HPGD P15428 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP3A4 P08684 1/20 0.31
POLB P06746 1/20 0.31
PTBP1 P26599 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAOB P27338 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL8875480 0.89 ALDH1A1 (0.41) MEN1KMT2ALMNAEZH2TSHR
Hydrochloric Acid SCHEMBL8712939 0.88 ALDH1A1 (0.40) MEN1KMT2ALMNAEZH2TSHR
SCHEMBL8718692 0.83 KMT2A (0.36) MEN1KMT2ACYP1A2LMNAEZH2
Hydrochloric Acid SCHEMBL8717770 0.76 EZH2 (0.30) EZH2
SCHEMBL8720009 0.76 MAPT (0.44) MEN1KMT2AGAALMNAHPGD
SCHEMBL3597158 0.72 KCNQ2 (0.39) MEN1KMT2AL3MBTL1EZH2HPGD
SCHEMBL14511366 0.72 LMNA (0.52) KMT2AGAACYP1A2LMNAL3MBTL1
SCHEMBL8713529 0.71 MEN1 (0.34) MEN1KMT2AGAAEZH2HPGD
SCHEMBL8714697 0.71 MEN1 (0.34) MEN1KMT2AGAACYP1A2EZH2
SCHEMBL6987101 0.70 ALOX5 (0.34) MEN1KMT2ACYP1A2LMNATSHR

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