SCHEMBL28909208

SCHEMBL28909208

O=C(CCC(O)O)OCCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.66
APP P05067 2/20 0.56
ALOX5 P09917 2/20 0.52
HCAR2 Q8TDS4 1/20 0.49
FFAR1 O14842 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL28805170 0.87 TDP1 (0.62) TDP1APPALOX5HCAR2FFAR1
SCHEMBL22832718 0.86 TDP1 (0.81) TDP1APPALOX5HCAR2FFAR1
SCHEMBL4956181 0.85 TDP1 (0.64) TDP1APPALOX5HCAR2FFAR1
SCHEMBL9367557 0.84 TDP1 (0.92) TDP1APPALOX5HCAR2FFAR1
SCHEMBL7702417 0.83 TDP1 (0.53) TDP1APPALOX5FFAR1
SCHEMBL3449540 0.83 TDP1 (0.60) TDP1APPALOX5HCAR2NPC1
SCHEMBL7290583 0.82 TDP1 (0.75) TDP1APPALOX5HCAR2FFAR1
Ammonia Solution, Strong SCHEMBL11481573 0.82 TDP1 (0.89) TDP1APPALOX5HCAR2FFAR1
SCHEMBL1054351 0.82 TDP1 (0.75) TDP1APPALOX5HCAR2FFAR1
SCHEMBL7706200 0.82 TDP1 (0.51) TDP1APPALOX5FFAR1ALDH1A1

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
CN-114432286-A Application of 3-hydroxy-3 ', 4' -dihydroxy-butyric acid phenethyl ester in preparation of medicine for improving intestinal abnormality caused by aging 西安交通大学 2022-05-06 CN claimed
CN-112521286-B Preparation method and application of compound 3-hydroxy-3 ', 4' -dihydroxy-butyric acid phenethyl ester 西安交通大学 2021-12-28 CN claimed
CN-112521286-A Preparation method and application of compound 3-hydroxy-3 ', 4' -dihydroxy-butyric acid phenethyl ester 西安交通大学 2021-03-19 CN claimed
CN-114432286-A Application of 3-hydroxy-3 ', 4' -dihydroxy-butyric acid phenethyl ester in preparation of medicine for improving intestinal abnormality caused by aging 西安交通大学 2022-05-06 CN disclosed
CN-114432286-A Application of 3-hydroxy-3 ', 4' -dihydroxy-butyric acid phenethyl ester in preparation of medicine for improving intestinal abnormality caused by aging 西安交通大学 2022-05-06 CN disclosed
CN-114432286-A Application of 3-hydroxy-3 ', 4' -dihydroxy-butyric acid phenethyl ester in preparation of medicine for improving intestinal abnormality caused by aging 西安交通大学 2022-05-06 CN disclosed
CN-112521286-B Preparation method and application of compound 3-hydroxy-3 ', 4' -dihydroxy-butyric acid phenethyl ester 西安交通大学 2021-12-28 CN disclosed
CN-112521286-B Preparation method and application of compound 3-hydroxy-3 ', 4' -dihydroxy-butyric acid phenethyl ester 西安交通大学 2021-12-28 CN disclosed
CN-112521286-B Preparation method and application of compound 3-hydroxy-3 ', 4' -dihydroxy-butyric acid phenethyl ester 西安交通大学 2021-12-28 CN disclosed
CN-112521286-A Preparation method and application of compound 3-hydroxy-3 ', 4' -dihydroxy-butyric acid phenethyl ester 西安交通大学 2021-03-19 CN disclosed
CN-112521286-A Preparation method and application of compound 3-hydroxy-3 ', 4' -dihydroxy-butyric acid phenethyl ester 西安交通大学 2021-03-19 CN disclosed
CN-112521286-A Preparation method and application of compound 3-hydroxy-3 ', 4' -dihydroxy-butyric acid phenethyl ester 西安交通大学 2021-03-19 CN disclosed