SCHEMBL29129043

SCHEMBL29129043

CC(C)(C)c1c[c]c(C(N)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
KIF11 P52732 1/20 0.40
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
TNF P01375 1/20 0.37
KLF5 Q13887 1/20 0.37
NOD1 Q9Y239 1/20 0.37
HDAC1 Q13547 1/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
SLC22A3 O75751 1/20 0.37
ESRRG P62508 2/20 0.36
LRRK2 Q5S007 1/20 0.36
IKBKB O14920 1/20 0.36
SRD5A2 P31213 1/20 0.36
LMNA P02545 1/20 0.35
TYR P14679 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL4133046 0.81 KMT2A (0.44) ALDH1A1KIF11EPHX2IKBKBSRD5A2
SCHEMBL10636083 0.74 PARP1 (0.36) ALDH1A1KIF11SLC22A2SLC22A1SLC22A3
SCHEMBL14053842 0.73 LRRK2 (0.40) ALDH1A1KIF11EPHX2NR1H4HDAC1
SCHEMBL7304754 0.71 PARP10 (0.41) ALDH1A1MAPTTDP1L3MBTL1KMT2A
SCHEMBL15654666 0.69 KCNN4 (0.38) ALDH1A1SLC22A2SLC22A1SLC22A3IKBKB
SCHEMBL3609237 0.69 NPC1 (0.38) ALDH1A1IKBKBLMNAMAPTL3MBTL1
SCHEMBL4593743 0.69 CA1 (0.52) ALDH1A1IKBKBSMN1; SMN2
SCHEMBL25227526 0.69 POLB (0.39) ALDH1A1KIF11SLC22A2SLC22A1SLC22A3
SCHEMBL284242 0.69 EPHX2 (0.66) ALDH1A1KIF11EPHX2NR1H4TNF
Hydrochloric Acid SCHEMBL5012511 0.67 EPHX2 (0.64) ALDH1A1KIF11EPHX2NR1H4TNF

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
CN-117279636-A Methods and compounds for modulating myotonic muscular dystrophy type 1 设计治疗公司 2023-12-22 CN disclosed