SCHEMBL30457937

SCHEMBL30457937

CC(C)(NC(C)(C)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4C Q9H3R0 1/20 0.41
MAPT P10636 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
TP53 P04637 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31

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
SCHEMBL9086982 0.87 TSHR (0.42) TSHRALDH1A1KDM4CMAPTCYP2D6
SCHEMBL6285315 0.78 KDM4C (0.38) TSHRALDH1A1KDM4CMAPTCYP2D6
SCHEMBL26451683 0.78 KDM4C (0.42) TSHRALDH1A1KDM4CMAPTCYP2D6
SCHEMBL7821222 0.76
SCHEMBL141814 0.76
SCHEMBL31096976 0.76
SCHEMBL6429592 0.73
SCHEMBL11675279 0.73
Hydrochloric Acid SCHEMBL2240887 0.73
SCHEMBL5415498 0.73

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-116194144-A Prodrugs of phosphoramide nucleotide analogs and pharmaceutical uses thereof 吉利德科学公司 2023-05-30 CN disclosed