SCHEMBL28720485

SCHEMBL28720485

CCC(c1cccc(C(CC)c2ccc(C(=O)O)c(C(=O)O)c2)c1)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.50
MEN1 O00255 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GRM8 O00222 1/20 0.50
GRM6 O15303 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
DRD3 P35462 1/20 0.50
GRM4 Q14833 1/20 0.50
ALDH1A1 P00352 5/20 0.42
SORT1 Q99523 1/20 0.41
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL7071489 0.93 HSD17B10 (0.50) HSD17B10MEN1CYP2D6CYP2C9CYP2C19
SCHEMBL31473042 0.93 HSD17B10 (0.56) HSD17B10MEN1CYP2D6CYP2C9CYP2C19
SCHEMBL254345 0.93 HSD17B10 (0.56) HSD17B10MEN1CYP2D6CYP2C9CYP2C19
SCHEMBL10897090 0.82 POLB (0.51) MEN1CYP2D6CYP2C9KMT2ATDP1
SCHEMBL4626521 0.80 HSD17B10 (0.55) HSD17B10MEN1CYP2D6CYP2C9CYP2C19
SCHEMBL28546016 0.80 CA12 (0.50) HSD17B10MEN1CYP2C9CYP2C19KMT2A
SCHEMBL25437092 0.79 ALDH1A1 (0.47) HSD17B10MEN1KMT2ATDP1ALDH1A1
SCHEMBL28401167 0.79 CYP17A1 (0.47) HSD17B10MEN1CYP2D6CYP2C9CYP2C19
Methane SCHEMBL9652566 0.79 KDM4E (0.51) HSD17B10MEN1CYP2C9CYP2C19KMT2A
SCHEMBL1355525 0.79 HSD17B10 (0.53) HSD17B10MEN1CYP2D6CYP2C9CYP2C19

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-114174422-A Resin composition, semiconductor sealing material using same, and dipping base material, circuit board, build-up film, prepreg, carbon fiber composite material, solder resist, dry film, and printed wiring board DIC株式会社 2022-03-11 CN disclosed