SCHEMBL7680888

SCHEMBL7680888

COc1ccccc1C1CC(=O)c2c(C)coc2C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 2/20 0.51
HPGD P15428 2/20 0.41
HTR2C P28335 2/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP19A1 P11511 2/20 0.39
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL7681124 0.85 MAP1LC3B (0.42) MAP1LC3BHPGDHTR2CMAPTMEN1
SCHEMBL7683976 0.82 MAP1LC3B (0.41) MAP1LC3BHPGDMAPTMEN1KMT2A
SCHEMBL7689638 0.82 TP53 (0.48) MAP1LC3BHPGDMAPTPKMALDH1A1
SCHEMBL7683611 0.82 MAP1LC3B (0.49) MAP1LC3BHPGDPKMALDH1A1LMNA
SCHEMBL7680946 0.79 HTR2C (0.40) HTR2CMAPTLMNA
SCHEMBL7685368 0.78 LMNA (0.58) MAP1LC3BHPGDMAPTMEN1KMT2A
SCHEMBL7683942 0.77 MAP1LC3B (0.44) MAP1LC3BHTR2CPKMALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7685354 0.75 HTR2C (0.34) MAP1LC3BHTR2CPKM
SCHEMBL7689326 0.75 GRM7 (0.42) HPGDKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL7687099 0.74 TP53 (0.35) HTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed