SCHEMBL28207495

SCHEMBL28207495

CCc1c(N)ccc(OC)c1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
ALDH1A1 P00352 8/20 0.44
GAA P10253 3/20 0.44
EP300 Q09472 1/20 0.44
KAT8 Q9H7Z6 1/20 0.44
CYP3A4 P08684 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
THRB P10828 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.40
FGB P02675 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL6314806 0.86 ALDH1A1 (0.38) IDO1ALDH1A1GAAEP300KAT8
SCHEMBL2952706 0.86 CA2 (0.43) GAAMAPTMEN1KMT2AKDM4E
SCHEMBL27945532 0.85 IDO1 (0.44) IDO1ALDH1A1GAAEP300KAT8
SCHEMBL29181814 0.85 IDO1 (0.44) IDO1ALDH1A1GAAEP300KAT8
SCHEMBL28840305 0.83 IDO1 (0.42) IDO1ALDH1A1GAAEP300KAT8
SCHEMBL28133624 0.83 IDO1 (0.42) IDO1ALDH1A1GAAEP300KAT8
SCHEMBL996608 0.81 ALDH1A1 (0.56) IDO1ALDH1A1GAAEP300KAT8
SCHEMBL30117633 0.81 NOS3 (0.41) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL215981 0.81 NOS3 (0.41) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL28290607 0.79 IDO1 (0.47) IDO1ALDH1A1GAAEP300KAT8

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-109562025-B Powder-liquid type inner material for denture base 株式会社德山齿科 2022-03-22 CN disclosed
CN-107920876-B Reference denture base, reference denture, denture creation tool, and denture creation method 株式会社德山齿科 2020-10-23 CN disclosed
CN-109562025-A Powder liquid type basal seat area built-in material 株式会社德山齿科 2019-04-02 CN disclosed
CN-107920876-A Benchmark basal seat area, benchmark artificial tooth, artificial tooth tools and artificial tooth production method 株式会社德山齿科 2018-04-17 CN disclosed