SCHEMBL17530495

SCHEMBL17530495

CC(=O)c1ccc2c(c1)C(C)CC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRND Q07001 1/20 0.42
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
AKR1B1 P15121 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
HSD17B1 P14061 1/20 0.37

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
SCHEMBL1071564 0.87 RXRA (0.46) AKR1B1RXRARXRBRARBRARG
SCHEMBL9906973 0.83 RXRA (0.39) RXRARXRBRARBRARGRXRG
SCHEMBL23957703 0.82 RXRA (0.38) RXRARXRBRARBRARGRXRG
SCHEMBL9927799 0.82 RXRA (0.38) RXRARXRBRARBRARGRXRG
SCHEMBL12620671 0.76 RXRA (0.42) MAPTNPC1RAB9AAKR1B1MEN1
SCHEMBL6276772 0.76 OPRM1 (0.39)
SCHEMBL12620636 0.74 CHRNA1 (0.51) MAPTNPC1RAB9ACHRNA1CHRNG
SCHEMBL9626092 0.73 RXRA (0.42) MAPTNPC1RAB9AAKR1B1MEN1
SCHEMBL29859799 0.73 CA12 (0.41) MAPTCHRNB2CHRNA4ALDH1A1PGR
SCHEMBL23501557 0.73 CA12 (0.41) MAPTCHRNB2CHRNA4ALDH1A1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016028668-A1 MONOCHROMATIC ACTINIC RADIATION CURABLE COATINGS FOR OPTICAL FIBER DSM IP ASSETS B.V. (NL) 2016-02-25 WO disclosed