SCHEMBL28929367

SCHEMBL28929367

Cc1cc(C)c(C(=O)OP(=O)(O)O)c(C)c1.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
TAS1R2 Q8TE23 4/20 0.38
SRC P12931 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
CYP3A4 P08684 2/20 0.34
ACHE P22303 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CISD2 Q8N5K1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
GLO1 Q04760 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
SCHEMBL9576057 0.98 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2SRCSMN1; SMN2
SCHEMBL22159585 0.96 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2SRCSMN1; SMN2
Water SCHEMBL9576110 0.96 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2SRCSMN1; SMN2
SCHEMBL28811424 0.94 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2SRCSMN1; SMN2
SCHEMBL28407034 0.86 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2SRCSMN1; SMN2
SCHEMBL29222633 0.84 KMT2A (0.36) SRCSMN1; SMN2HPGDKMT2AMEN1
SCHEMBL22159580 0.84 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2SMN1; SMN2HPGD
Lithium Ion SCHEMBL22159591 0.81 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2SMN1; SMN2HPGD
SCHEMBL28993638 0.79 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2SMN1; SMN2HPGD
Lithium Ion SCHEMBL28993605 0.79 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116641232-A Dynamic temperature and humidity management fabric based on pore response and preparation method thereof 东华大学 2023-08-25 CN claimed
CN-116641232-A Dynamic temperature and humidity management fabric based on pore response and preparation method thereof 东华大学 2023-08-25 CN disclosed
CN-116284567-A Method for preparing single-layer polymer hollow sphere in one step and prepared single-layer polymer hollow sphere 安徽大学 2023-06-23 CN disclosed
CN-115558126-A Dynamically crosslinked hyaluronic acid hydrogels 海诺生物科技有限公司 2023-01-03 CN disclosed
CN-115558634-A Application of dynamically crosslinked hydrogel cultured cells 海诺生物科技有限公司 2023-01-03 CN disclosed