SCHEMBL8714296

SCHEMBL8714296

C=C(C)COc1cc(C)c(NC=O)c(C)c1CC(=C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 1/20 0.33
PTPRB P23467 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL8712749 0.87 NPSR1 (0.39) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8714301 0.85
SCHEMBL6980074 0.80 IMPDH2 (0.30)
SCHEMBL8716048 0.76 HPGD (0.48) ALDH1A1HPGDHSD17B10LMNATSHR
SCHEMBL8714563 0.71 MAOB (0.33) TSHR
SCHEMBL6315669 0.69 NPSR1 (0.39) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6985671 0.69
SCHEMBL8712853 0.69 HSD17B10 (0.49) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL3601391 0.67 NPSR1 (0.40) KDM4EALDH1A1MAPTLMNATSHR
SCHEMBL3601389 0.67 NPSR1 (0.40) KDM4EALDH1A1MAPTLMNATSHR

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 5 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
EP-0483772-A1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-05-06 EP disclosed