SCHEMBL29131289

SCHEMBL29131289

CC(=O)P(=O)(O)C(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.39
TAS1R1 Q7RTX1 4/20 0.39
TAS1R2 Q8TE23 4/20 0.39
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.37
PGK1 P00558 2/20 0.35
PGK2 P07205 2/20 0.35
SRC P12931 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL15822585 0.90 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2KMT2AHPGD
SCHEMBL15823830 0.88 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2KMT2AHPGD
Hydrochloric Acid SCHEMBL15823754 0.88 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2KMT2AHPGD
SCHEMBL28106244 0.81 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2KMT2AHPGD
SCHEMBL21349626 0.81 KMT2A (0.39) TAS1R3TAS1R1TAS1R2KMT2AHPGD
Acetic Acid SCHEMBL28487579 0.80 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2KMT2AHPGD
SCHEMBL19221711 0.79 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2KMT2AHPGD
SCHEMBL28701742 0.79 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2KMT2AHPGD
SCHEMBL28643929 0.79 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2KMT2AHPGD
SCHEMBL11123471 0.79 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2KMT2AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304514-A Cuttlefish ink polysaccharide hydrogel based on 3D printing and preparation method and application thereof 广东海洋大学 2023-12-29 CN claimed
CN-117304514-A Cuttlefish ink polysaccharide hydrogel based on 3D printing and preparation method and application thereof 广东海洋大学 2023-12-29 CN disclosed