SCHEMBL4485798

SCHEMBL4485798

CC(C)OC(=O)[C@H](O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
MAPK1 P28482 1/20 0.54
TSHR P16473 1/20 0.52
HPGD P15428 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
KMT2A Q03164 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
CHRM2 P08172 2/20 0.45
CHRM1 P11229 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CHRM3 P20309 2/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
BLM P54132 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
SCHEMBL4485794 1.00 LMNA (0.54) LMNAMAPK1TSHRHPGDCES2
SCHEMBL9312069 0.86 TSHR (0.51) LMNAMAPK1TSHRHPGDCES2
SCHEMBL4014858 0.82 LMNA (0.47) LMNAMAPK1HPGDCES2CES1
SCHEMBL821949 0.82 LMNA (0.47) LMNAMAPK1TSHRHPGDCES2
SCHEMBL17766275 0.82 MAPT (0.54) LMNAMAPK1TSHRHPGDCES2
SCHEMBL5898749 0.82 LMNA (0.56) LMNAMAPK1HPGDCES2CES1
SCHEMBL2294892 0.82 TDP1 (0.51) TSHRKMT2AHTTPDCD1CD274
SCHEMBL5898746 0.82 LMNA (0.56) LMNAMAPK1HPGDCES2CES1
SCHEMBL15866633 0.82 TDP1 (0.51) TSHRKMT2AHTTPDCD1CD274
SCHEMBL17965729 0.82 SRC (0.52) LMNATSHRKMT2ACYP2D6HTT

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118218027-A Application of polydentate ligand/ruthenium catalyst and method for preparing diol compound by hydrogenation reaction of alpha-hydroxy ester 郑州大学 2024-06-21 CN claimed
CN-117665163-A Method for detecting related substances in pregabalin 上海佰利源医药科技有限公司 2024-03-08 CN claimed
CN-108503545-B Method for preparing phenylacetate by catalytic oxidation of mandelate 大连理工大学 2021-05-25 CN claimed
CN-106701700-B Oxidase and application thereof 江南大学 2020-03-06 CN claimed
CN-106701701-B Oxidase and application thereof 江南大学 2020-02-18 CN claimed
CN-106701704-B Oxidase and application thereof 江南大学 2020-01-07 CN claimed
CN-106636022-B Oxidase and application thereof 江南大学 2020-01-07 CN claimed
CN-106591251-B Oxidase and application thereof 江南大学 2020-01-03 CN claimed
CN-106701706-B A kind of oxidizing ferment and its application 江南大学 2019-11-15 CN claimed
CN-106754788-B A kind of oxidizing ferment and its application 江南大学 2019-11-15 CN claimed
CN-103193831-B Preparation method of single chiral metal-organic framework material with chiral separation and photoinduction functions UNIV SHANGHAI JIAOTONG 2015-05-27 CN claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
EP-1059563-B1 Agent for reducing substrate dependence of resist WAKO PURE CHEM IND LTD (JP) 2006-08-09 EP claimed
CN-1242303-C Agent for lowering dependence of substrate WAKO PURE CHEM IND LTD (JP) 2006-02-15 CN claimed
US-6586152-B1 Useful as an ingredient of a resist composition used for preparation of semiconductor devices and the like, which comprises a compound shown by the following general formula useful as an ingredient of a resist composition used for WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-01 US claimed
CN-1278076-A Agent for lowering dependence of substrate WAKO PURE CHEM IND LTD (JP) 2000-12-27 CN claimed
EP-1059563-A1 Agent for reducing substrate dependence of resist Wako Pure Chemical Industries, Ltd. (JP) 2000-12-13 EP claimed
US-4515667-A METAL TITANATES THE STANDARD OIL COMPANY (US) 1985-05-07 US claimed
US-4451343-A CONVERTING ALPHA-HYDROXY CARBOXYLIC ACIDS TO ALCOHOLS WITH PEROXY OR AZO INITIATORS THE STANDARD OIL COMPANY (US) 1984-05-29 US claimed