SCHEMBL8716967

SCHEMBL8716967

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
EZH2 Q15910 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 2/20 0.31
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 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
SCHEMBL8713529 0.87 MEN1 (0.34) MEN1KMT2APOLBEZH2TP53
SCHEMBL8718653 0.84 MEN1 (0.33) MEN1KMT2APOLBEZH2TP53
SCHEMBL8713582 0.84 MEN1 (0.33) MEN1KMT2APOLBPTGS1PTGS2
SCHEMBL8718408 0.84 MEN1 (0.39) MEN1KMT2APOLBEZH2PTGS1
SCHEMBL8718704 0.84 NPSR1 (0.36) MEN1KMT2AEZH2PTGS1PTGS2
SCHEMBL8713227 0.82 PTGS1 (0.31) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8716163 0.82 ALOX5 (0.31) MEN1KMT2APTGS1PTGS2CYP1A2
SCHEMBL8716195 0.82 KDM4E (0.33) MEN1KMT2APOLBEZH2MAPT
SCHEMBL8717146 0.82 KDM4E (0.33) MEN1KMT2APOLBMAPTCYP1A2
SCHEMBL8875480 0.81 ALDH1A1 (0.41) MEN1KMT2AEZH2TP53MAPT

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