SCHEMBL8714404

SCHEMBL8714404

CCCCCc1ccc(C2c3c(C)c([N+](=O)[O-])c(C)c(C)c3OC2(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
LPL P06858 4/20 0.36
LIPG Q9Y5X9 4/20 0.36
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
CA2 P00918 1/20 0.33
STING1 Q86WV6 1/20 0.32
SPHK1 Q9NYA1 2/20 0.32
CSNK2B P67870 2/20 0.32
CSNK2A1 P68400 2/20 0.32
CNR2 P34972 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL8713810 0.81 LPL (0.39) LPLLIPGSPHK1CNR2
SCHEMBL9665976 0.81 ESR1 (0.42) LPLLIPGSPHK1
SCHEMBL8712974 0.81 ALDH1A1 (0.34)
SCHEMBL8712967 0.78 LPL (0.41) LPLLIPGSPHK1CNR2
SCHEMBL680595 0.66 KCNH2 (0.74) KCNH2CA2
SCHEMBL25171490 0.65 KCNH2 (0.77) KCNH2CA2
SCHEMBL1881781 0.65 KCNH2 (0.77) KCNH2CA2
SCHEMBL11075250 0.65 KCNH2 (0.77) KCNH2CA2
SCHEMBL8743949 0.65 KCNH2 (0.77) KCNH2CA2
SCHEMBL4310058 0.65 KCNH2 (0.77) KCNH2CA2

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