SCHEMBL21629697

SCHEMBL21629697

CCCC(CCC(C)=O)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.73
AKR1A1 P14550 1/20 0.73
CHRM3 P20309 1/20 0.73
HTR2A P28223 1/20 0.73
HTR2C P28335 1/20 0.73
ADRA1A P35348 1/20 0.73
HRH1 P35367 1/20 0.73
DRD3 P35462 1/20 0.73
SLC6A3 Q01959 1/20 0.73
HDAC1 Q13547 1/20 0.73
HDAC2 Q92769 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
GRIK1 P39086 1/20 0.50
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
GRIK2 Q13002 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CA2 P00918 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL28466870 0.87 CA2 (0.63) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3838133 0.85 CHRM1 (0.64) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL140241 0.85 CHRM1 (1.00) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL1330837 0.85 CHRM1 (1.00) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3839659 0.85 CHRM1 (0.64) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL2275 0.85 CHRM1 (1.00) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5512293 0.85 CHRM1 (0.64) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10430532 0.84 FOLH1 (0.61) FOLH1
SCHEMBL28193296 0.84 HDAC7 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL723389 0.84 CA2 (0.58) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11849742-B2 Tasteful natural sweetener and flavor EPC NATURAL PRODUCTS CO., LTD. (CN) 2023-12-26 US disclosed
US-20230082165-A1 TASTEFUL NATURAL SWEETENER AND FLAVOR EPC Natural Products Co., Ltd (CN) 2023-03-16 US disclosed
US-20230085263-A1 TASTEFUL NATURAL SWEETENER AND FLAVOR EPC Natural Products., Ltd. (CN) 2023-03-16 US disclosed
US-20230037188-A1 TASTEFUL NATURAL SWEETENER AND FLAVOR EPC Natural Products., Ltd. (CN) 2023-02-02 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11425923-B1 Tasteful natural sweetener and flavor EPC NATURAL PRODUCTS CO., LTD. (CN) 2022-08-30 US disclosed
US-11324237-B2 Tasteful natural sweetener and flavor EPC NATURAL PRODUCTS CO., LTD. (CN) 2022-05-10 US disclosed
US-11252978-B2 Tasteful natural sweetener and flavor EPC NATURAL PRODUCTS CO., LTD. (CN) 2022-02-22 US disclosed
US-11154079-B2 Tasteful natural sweetener and flavor EPC NATURAL PRODUCTS CO., LTD. (CN) 2021-10-26 US disclosed
US-20200107567-A1 TASTEFUL NATURAL SWEETENER AND FLAVOR EPC NATURAL PRODUCTS CO., LTD. (CN) 2020-04-09 US disclosed
US-20200054056-A1 TASTEFUL NATURAL SWEETENER AND FLAVOR EPC NATURAL PRODUCTS CO., LTD. (CN) 2020-02-20 US disclosed
US-20200029607-A1 TASTEFUL NATURAL SWEETENER AND FLAVOR EPC NATURAL PRODUCTS CO., LTD. (CN) 2020-01-30 US disclosed