SCHEMBL25477183

SCHEMBL25477183

COCC(COC)(C(=O)OC(=O)C(COC)(COC)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.48
PRSS1 P07477 2/20 0.42
CTSG P08311 2/20 0.42
CTRB1 P17538 2/20 0.42
CMA1 P23946 2/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CES1 P23141 1/20 0.41
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
HTT P42858 1/20 0.39
KMT2A Q03164 3/20 0.37
MAPT P10636 1/20 0.37
OPRM1 P35372 2/20 0.37
MEN1 O00255 2/20 0.37
HDAC1 Q13547 1/20 0.37
OPRD1 P41143 1/20 0.37
SRC P12931 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 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
SCHEMBL25477179 0.89 KCNN4 (0.58) KCNN4PRSS1CTSGCTRB1CMA1
SCHEMBL25477181 0.85 ALDH1A1 (0.52) KCNN4ALDH1A1TSHRCES1CYP2C19
SCHEMBL24781344 0.83 KCNN4 (0.46) KCNN4ALDH1A1TSHRCES1CYP2C19
SCHEMBL28983035 0.80 ALDH1A1 (0.47) KCNN4ALDH1A1TSHRCES1CYP2C19
SCHEMBL11251 0.77 HTT (0.50) KCNN4ALDH1A1TSHRCES1CYP2C19
SCHEMBL888518 0.77 KCNN4 (0.49) KCNN4CTRB1ALDH1A1TSHRCES1
SCHEMBL888331 0.74 PIN1 (0.42) KCNN4ALDH1A1KMT2AMAPTOPRM1
SCHEMBL818925 0.74 KCNN4 (0.38) KCNN4ALDH1A1TSHRCES1CYP2C19
SCHEMBL6368051 0.73 KCNN4 (0.56) KCNN4PRSS1CTSGCTRB1CMA1
SCHEMBL6465999 0.73 CA12 (0.41) KCNN4ALDH1A1TSHRHIF1ACHRM2

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-2023083295-A1 ESTER DERIVATIVES OF N4-HYDROXYCYTIDINE AND USE THEREOF SUZHOU SPRING-SEA BIO-PHARMACEUTICALS CO., LTD. (CN) 2023-05-19 WO disclosed