SCHEMBL8712948

SCHEMBL8712948

Cc1cc(C)c2c(c1C)OC(C)(C)C2c1ccc(N(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
ALDH1A1 P00352 7/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.32
TSHR P16473 3/20 0.32
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 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
SCHEMBL3896059 0.85 MAPT (0.30) MAPT
SCHEMBL4972258 0.84 ALOX5 (0.31)
SCHEMBL8717957 0.82 MEN1 (0.33) ALDH1A1KDM4EHSD17B10
SCHEMBL4970543 0.82 PGR (0.31)
SCHEMBL4038662 0.82 TSHR (0.35) MAPTALDH1A1KDM4EGAAHTT
Hydrochloric Acid SCHEMBL9667575 0.81 TSHR (0.35) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL4969203 0.80 ALDH1A1 (0.37) MAPTALDH1A1KDM4EGAAATM
SCHEMBL8716182 0.80 LMNA (0.31)
SCHEMBL8713355 0.78 LPL (0.37)
SCHEMBL8712967 0.75 LPL (0.41) ALDH1A1KDM4EHSD17B10

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