SCHEMBL8718307

SCHEMBL8718307

CC(=O)Nc1ccc(O)c(C)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
POLB P06746 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
GAA P10253 2/20 0.53
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 3/20 0.47
APOBEC3A P31941 1/20 0.47
GFER P55789 1/20 0.47
HDAC1 Q13547 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PHPT1 Q9NRX4 1/20 0.47
ESR1 P03372 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.44
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42

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
SCHEMBL10620933 0.89 ALDH1A1 (0.58) MAPTPOLBNPC1RAB9AGAA
SCHEMBL27782173 0.84 MAPT (0.52) MAPTPOLBNPC1RAB9AGAA
SCHEMBL27914653 0.82 MAPT (0.50) MAPTPOLBNPC1RAB9AGAA
SCHEMBL13061723 0.82 MAPT (0.50) MAPTPOLBNPC1RAB9AGAA
SCHEMBL13061724 0.82 POLB (0.50) MAPTPOLBNPC1RAB9AGAA
SCHEMBL7755740 0.82 POLB (0.50) MAPTPOLBNPC1RAB9AGAA
SCHEMBL27659950 0.82 MAPT (0.50) MAPTPOLBNPC1RAB9AGAA
SCHEMBL5725423 0.82 ALDH1A1 (0.57) MAPTPOLBNPC1RAB9AGAA
SCHEMBL10058973 0.79 GAA (0.49) MAPTPOLBNPC1RAB9AGAA
SCHEMBL1133948 0.78 MAPT (0.46) MAPTPOLBNPC1RAB9AGAA

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