SCHEMBL28290607

SCHEMBL28290607

CCCc1c(N)ccc(OC)c1CCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
EP300 Q09472 1/20 0.46
KAT8 Q9H7Z6 1/20 0.46
ALDH1A1 P00352 7/20 0.41
GAA P10253 2/20 0.41
CYP3A4 P08684 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
THRB P10828 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL28468316 0.89 SKP2 (0.44) IDO1EP300KAT8ALDH1A1GAA
SCHEMBL9382243 0.84 IDO1 (0.47) IDO1EP300KAT8ALDH1A1GAA
SCHEMBL458150 0.82 NOS2 (0.45) ALDH1A1GAACYP3A4TDP1TSHR
SCHEMBL28076643 0.82 IDO1 (0.46) IDO1EP300KAT8ALDH1A1GAA
SCHEMBL11289542 0.82 ALDH1A1 (0.52) IDO1EP300KAT8ALDH1A1GAA
SCHEMBL28207495 0.79 IDO1 (0.45) IDO1EP300KAT8ALDH1A1GAA
SCHEMBL28593066 0.76 SKP2 (0.43) IDO1EP300KAT8ALDH1A1GAA
SCHEMBL24089462 0.74 ALOX5 (0.46) ALDH1A1TSHRHSD17B10KDM4EMAPK1
SCHEMBL8564056 0.74 CA1 (0.48) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL29181814 0.73 IDO1 (0.44) IDO1EP300KAT8ALDH1A1GAA

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
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