SCHEMBL28292308

SCHEMBL28292308

CCCCOC(=O)[C@@H](C)Oc1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
ESR1 P03372 3/20 0.57
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
NR1H2 P55055 1/20 0.57
RNASEL Q05823 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.50
LTA4H P09960 2/20 0.49
NR5A1 Q13285 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.44
ALDH2 P05091 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL10486641 1.00 TSHR (0.57) TSHRESR1LMNASMN1; SMN2CYP1A2
SCHEMBL11055737 0.97 NR5A1 (0.54) TSHRESR1LMNASMN1; SMN2CYP1A2
SCHEMBL10387518 0.92 TSHR (0.53) TSHRESR1LMNASMN1; SMN2CYP1A2
SCHEMBL16672556 0.87 L3MBTL1 (0.57) TSHRLMNACYP1A2MAPK1CYP2C19
SCHEMBL1245750 0.87 TAS1R3 (0.54) TSHRLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL14544945 0.86 LMNA (0.57) TSHRESR1LMNASMN1; SMN2CYP1A2
SCHEMBL21381329 0.86 EPHX2 (0.52) LMNACYP1A2CYP2C19L3MBTL1ALDH1A1
SCHEMBL22207223 0.85 ALDH1A1 (0.46) TSHRESR1LMNASMN1; SMN2CYP1A2
SCHEMBL9621303 0.85 LMNA (0.66) TSHRESR1LMNASMN1; SMN2CYP1A2
SCHEMBL5789381 0.85 LMNA (0.66) TSHRESR1LMNASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109867601-B Preparation method of (R) -2- (4-hydroxyphenoxy) butyl propionate 湖南速博生物技术有限公司 2021-05-28 CN claimed
CN-107253912-B Synthetic method of cyhalofop-butyl 江苏永凯化学有限公司 2020-07-31 CN claimed
CN-109867601-A The preparation method of one kind (R) -2- (4- hydroxyphenoxy) butyl propionate 湖南速博生物技术有限公司 2019-06-11 CN claimed
CN-109651140-A A kind of synthetic method of cyhalofop-butyl active compound 江苏中旗科技股份有限公司 2019-04-19 CN claimed
CN-115721995-B Production system and process of cyhalofop-butyl original medicine 池州飞昊达化工有限公司 2024-11-19 CN disclosed
CN-115490617-B Preparation process of cyhalofop-butyl with low cost and high optical purity content 江苏丰山生化科技有限公司 2024-03-26 CN disclosed
CN-115490617-A Preparation process of low-cost high-light pure content cyhalofop-butyl 江苏丰山集团股份有限公司 2022-12-20 CN disclosed
CN-111187155-B Method for synthesizing R- (+) -2- (4-hydroxyphenoxy) propionic acid by gas phase catalysis 江苏三吉利化工股份有限公司 2022-04-05 CN disclosed
CN-109867601-B Preparation method of (R) -2- (4-hydroxyphenoxy) butyl propionate 湖南速博生物技术有限公司 2021-05-28 CN disclosed
CN-109867601-B Preparation method of (R) -2- (4-hydroxyphenoxy) butyl propionate 湖南速博生物技术有限公司 2021-05-28 CN disclosed
CN-107253912-B Synthetic method of cyhalofop-butyl 江苏永凯化学有限公司 2020-07-31 CN disclosed
CN-107253912-B Synthetic method of cyhalofop-butyl 江苏永凯化学有限公司 2020-07-31 CN disclosed
CN-111187155-A Method for synthesizing R- (+) -2- (4-hydroxyphenoxy) propionic acid by gas phase catalysis 江苏三吉利化工股份有限公司 2020-05-22 CN disclosed
CN-109867601-A The preparation method of one kind (R) -2- (4- hydroxyphenoxy) butyl propionate 湖南速博生物技术有限公司 2019-06-11 CN disclosed
CN-109867601-A The preparation method of one kind (R) -2- (4- hydroxyphenoxy) butyl propionate 湖南速博生物技术有限公司 2019-06-11 CN disclosed
CN-109867601-A The preparation method of one kind (R) -2- (4- hydroxyphenoxy) butyl propionate 湖南速博生物技术有限公司 2019-06-11 CN disclosed
CN-109651140-A A kind of synthetic method of cyhalofop-butyl active compound 江苏中旗科技股份有限公司 2019-04-19 CN disclosed
CN-109651140-A A kind of synthetic method of cyhalofop-butyl active compound 江苏中旗科技股份有限公司 2019-04-19 CN disclosed