SCHEMBL7681124

SCHEMBL7681124

Cc1ccccc1C1CC(=O)c2c(C)coc2C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 2/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 4/20 0.39
HTR2C P28335 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37
GRM7 Q14831 1/20 0.36
ALDH1A1 P00352 4/20 0.35
USP2 O75604 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL7683976 0.87 MAP1LC3B (0.41) MAP1LC3BLMNAHPGDALDH1A1USP2
SCHEMBL7689638 0.87 TP53 (0.48) MAP1LC3BLMNAHPGDALDH1A1USP2
SCHEMBL7683611 0.87 MAP1LC3B (0.49) MAP1LC3BLMNAHPGDGRM7ALDH1A1
SCHEMBL7680888 0.85 MAP1LC3B (0.51) MAP1LC3BLMNAHPGDHTR2CALDH1A1
SCHEMBL7680946 0.84 HTR2C (0.40) LMNAHTR2CMAPT
SCHEMBL7690067 0.84 MAP1LC3B (0.38) MAP1LC3BLMNAHPGDHTR2CGRM7
SCHEMBL7685368 0.84 LMNA (0.58) MAP1LC3BLMNAHPGDALDH1A1PKM
SCHEMBL7689326 0.83 GRM7 (0.42) LMNAHPGDGRM7ALDH1A1SMN1; SMN2
SCHEMBL7683942 0.82 MAP1LC3B (0.44) MAP1LC3BLMNAHTR2CALDH1A1USP2
SCHEMBL7687762 0.78 POLB (0.50) MAP1LC3BLMNAHPGDALDH1A1USP2

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