SCHEMBL8720040

SCHEMBL8720040

C=C(C)Cc1c(C)c(Nc2ccc(OC)cc2)c(C)c(C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 6/20 0.42
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
GAA P10253 4/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 7/20 0.38
HPGD P15428 2/20 0.38
NR4A1 P22736 1/20 0.37
KMT2A Q03164 4/20 0.37
KDM1A O60341 1/20 0.37
POLB P06746 1/20 0.37
RAD52 P43351 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL8713482 0.85 NPC1 (0.33) ALDH1A1MAPTRAB9ANPC1GAA
SCHEMBL8713044 0.85 CXCR2 (0.35) ALDH1A1MAPTKDM4EHPGDPOLB
SCHEMBL8713380 0.69 ALDH1A1 (0.33) ALDH1A1HPGDKMT2APOLBMEN1
SCHEMBL6985671 0.68
SCHEMBL10462358 0.65 AKR1C3 (0.51) ALDH1A1MAPTRAB9ANPC1GAA
SCHEMBL18415501 0.65 GAA (0.59) ALDH1A1MAPTRAB9ANPC1GAA
SCHEMBL18280288 0.64 TNF (0.57) ALDH1A1MAPTRAB9ANPC1GAA
SCHEMBL39057 0.64 MAPT (1.00) ALDH1A1MAPTRAB9ANPC1GAA
SCHEMBL1459772 0.64 MAPT (1.00) ALDH1A1MAPTRAB9ANPC1GAA
SCHEMBL7256133 0.63 MAPT (0.77) ALDH1A1MAPTRAB9ANPC1GAA

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