SCHEMBL6547618

SCHEMBL6547618

CC(C)c1c(N)ccccc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA2A P29274 2/20 0.38
PTPRC P08575 1/20 0.38
FGR P09769 1/20 0.37
PIM1 P11309 1/20 0.37
MAOA P21397 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
DYRK1A Q13627 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
CSNK1G1 Q9HCP0 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL841515 0.78 CYP3A4 (0.48) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL924270 0.72 ALDH1A1 (0.37) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL18395294 0.71 ADORA2A (0.46) CYP3A4SMN1; SMN2ADORA2APTPRCFGR
SCHEMBL141144 0.70 CYP3A4 (0.46) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL7765934 0.70 CYP3A4 (0.40) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL10073173 0.70 CD44 (0.52) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL29030087 0.70 TDP1 (0.48) CYP3A4ALOX15SMN1; SMN2PTPRCTDP1
SCHEMBL728304 0.70 L3MBTL1 (0.44) SMN1; SMN2TDP1LMNAADORA3ALDH1A1
SCHEMBL728071 0.69
SCHEMBL5841717 0.68 TDP1 (0.41) CYP3A4SMN1; SMN2ADORA2APTPRCTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107661505-A Hinokitiol inclusion compound and preparation method thereof 上海键合医药科技有限公司 2018-02-06 CN disclosed
EP-1069104-B1 PROCESS FOR PRODUCING HINOKITIOL ASAHI CHEMICAL IND (JP) 2004-01-28 EP disclosed
US-6310255-B1 Process for producing hinokitiol ASAHI KASEI KABUSHIKI KAISHA (JP) 2001-10-30 US disclosed
EP-1069104-A1 PROCESS FOR PRODUCING HINOKITIOL Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2001-01-17 EP disclosed