SCHEMBL6583892

SCHEMBL6583892

CCc1ccc(OC)c(OCC(=O)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
HTT P42858 4/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 3/20 0.48
ATM Q13315 1/20 0.48
MAPK1 P28482 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
ACHE P22303 1/20 0.46

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
SCHEMBL19632865 0.83 L3MBTL1 (0.57) NPC1RAB9AHTTCYP3A4CYP2C9
SCHEMBL29620410 0.82 POLB (0.71) NPC1RAB9AHTTL3MBTL1TDP1
SCHEMBL9787268 0.82 POLB (0.71) NPC1RAB9AHTTL3MBTL1TDP1
SCHEMBL5722802 0.82 PTGDR2 (0.53) NPC1RAB9AHTTCYP2D6CYP2C19
SCHEMBL8372169 0.80 HMGCR (0.52) HTTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23639738 0.80 KMT2A (0.72) HTTCYP3A4L3MBTL1TDP1KMT2A
SCHEMBL31321630 0.80 KMT2A (0.72) HTTCYP3A4L3MBTL1TDP1KMT2A
SCHEMBL9787132 0.79 MEN1 (0.71) NPC1RAB9AHTTCYP3A4L3MBTL1
SCHEMBL2797955 0.79 TDP1 (0.49) NPC1RAB9AHTTCYP3A4L3MBTL1
SCHEMBL6751643 0.78 NPC1 (0.60) NPC1RAB9AHTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928789-B1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2004-09-29 EP disclosed
US-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 US disclosed
EP-0928789-A1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-07-14 EP disclosed