SCHEMBL8718441

SCHEMBL8718441

CC=C(C)Oc1cc(C)cc(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
HTT P42858 2/20 0.34
HTR7 P34969 1/20 0.34
HTR1A P08908 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
ACHE P22303 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
SCHEMBL31229876 0.79 MAPT (0.49) MAPTALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL2048079 0.79 MAPT (0.49) MAPTALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL6894110 0.76 MAPT (0.43) MAPTALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL5781797 0.73 NPSR1 (0.38) MAPTALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL10867192 0.73 MAPT (0.48) MAPTALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL9027954 0.73 GAA (0.34) ALDH1A1KDM4EPOLB
SCHEMBL9487712 0.72 ALDH1A1 (0.41) MAPTALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL4315998 0.71 ALDH1A1 (0.49) MAPTALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL29729485 0.71 ALDH1A1 (0.49) MAPTALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL29556815 0.70 ACHE (0.56) ALDH1A1KDM4ESMN1; SMN2POLBL3MBTL1

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