SCHEMBL30977948

SCHEMBL30977948

CC(O)C(=O)C(C)(O)C(=O)O.CC(O)C(=O)C(C)(O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
TET2 Q6N021 1/20 0.33
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30

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
SCHEMBL29867947 1.00 TP53 (0.43) TP53ALDH1A1TSHRTET2HMGCR
SCHEMBL4410669 1.00 TP53 (0.43) TP53ALDH1A1TSHRTET2HMGCR
SCHEMBL28052627 0.97 TP53 (0.41) TP53ALDH1A1TSHRTET2
SCHEMBL27931388 0.97 TP53 (0.41) TP53ALDH1A1TSHRTET2
Ammonia Solution, Strong SCHEMBL5697791 0.97 TP53 (0.41) TP53ALDH1A1TSHRTET2
Ammonia Solution, Strong SCHEMBL27462516 0.95 TP53 (0.39) TP53ALDH1A1TSHRTET2
Water SCHEMBL2573978 0.95 TP53 (0.39) TP53ALDH1A1TSHRTET2
SCHEMBL3183247 0.88 TP53 (0.38) TP53ALDH1A1TSHRTET2
SCHEMBL7879927 0.86 TP53 (0.36) TP53ALDH1A1TSHR
SCHEMBL2935592 0.77 ALDH1A1 (0.41) ALDH1A1TSHR

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-113164885-B Antimicrobial Nanoemulsions M2实验室 2024-07-12 CN disclosed