SCHEMBL8716163

SCHEMBL8716163

CC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(CO)O2

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE4A P27815 1/20 0.31
PDE3A Q14432 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 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
SCHEMBL8716967 0.82 MEN1 (0.36) MEN1KMT2APTGS1PTGS2CYP1A2
SCHEMBL8718923 0.81
SCHEMBL6987101 0.81 ALOX5 (0.34) ALOX5MEN1KMT2APDE4APDE3A
SCHEMBL8713491 0.80 ALOX5 (0.38) ALOX5MEN1KMT2A
SCHEMBL8716925 0.78 POLB (0.35) MEN1KMT2ACYP1A2
SCHEMBL8713227 0.78 PTGS1 (0.31) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL6984138 0.76 ALOX5 (0.34) ALOX5MEN1KMT2APDE4APDE3A
SCHEMBL8601773 0.75 MEN1 (0.53) ALOX5MEN1KMT2APDE4APDE3A
SCHEMBL6983850 0.75 MEN1 (0.39) MEN1KMT2A
SCHEMBL7057394 0.74 NR1I2 (0.47) ALOX5MEN1KMT2APTGS1PTGS2

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