SCHEMBL7683472

SCHEMBL7683472

Cc1ccc(C2CC(=O)c3c(C)coc3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 4/20 0.47
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
ALPL P05186 1/20 0.38
MAOB P27338 4/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7689340 0.88 LMNA (0.43) MAP1LC3BLMNAALDH1A1HPGDALPL
SCHEMBL7682795 0.88 ALPL (0.51) MAP1LC3BLMNAALDH1A1HPGDALPL
SCHEMBL7685368 0.88 LMNA (0.58) MAP1LC3BLMNAALDH1A1HPGDHSP90AA1
SCHEMBL7681306 0.86 ALDH1A1 (0.44) MAP1LC3BLMNAALDH1A1HPGDMAOB
SCHEMBL7689326 0.81 GRM7 (0.42) LMNAALDH1A1HPGDMAOBHSD17B10
SCHEMBL7681124 0.78 MAP1LC3B (0.42) MAP1LC3BLMNAALDH1A1HPGDUSP2
SCHEMBL7687762 0.77 POLB (0.50) MAP1LC3BLMNAALDH1A1HPGDMAPK1
SCHEMBL7689174 0.75 LDHA (0.40) MAP1LC3BLMNAALDH1A1USP2
SCHEMBL7678724 0.75 LMNA (0.34) LMNAALDH1A1HPGDMAPK1HSD17B10
SCHEMBL7683976 0.74 MAP1LC3B (0.41) MAP1LC3BLMNAALDH1A1HPGDMAPK1

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