SCHEMBL10529337

SCHEMBL10529337

C=C(C)C(C)(COC(C)=O)OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.31
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30
TBXA2R P21731 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CHRNA10 Q9GZZ6 1/20 0.30

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
SCHEMBL13548866 0.75 GAA (0.46) GAAALDH1A1HSD17B10LMNATDP1
SCHEMBL12459690 0.73 GAA (0.44) GAAALDH1A1HSD17B10LMNATDP1
SCHEMBL19472115 0.71 GAA (0.40) GAAALDH1A1
SCHEMBL4115382 0.70
SCHEMBL4105856 0.70 ALDH1A1 (0.43) GAAALDH1A1HSD17B10LMNATDP1
SCHEMBL1948636 0.70 ALDH1A1 (0.43) GAAALDH1A1HSD17B10LMNATDP1
SCHEMBL10361272 0.70
SCHEMBL5690439 0.69 GAA (0.38) GAAALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL14627793 0.69 ALDH1A1 (0.48) GAAALDH1A1HSD17B10LMNATDP1
SCHEMBL3199088 0.69 ALDH1A1 (0.48) GAAALDH1A1HSD17B10LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4182901-A AND SUITABLE CARBOXYLIC ACID PHILLIPS PETROLEUM COMPANY (US) 1980-01-08 US claimed
US-4095030-A CARBOXYLIC ACID SALTS, DILUENTS PHILLIPS PETROLEUM COMPANY (US) 1978-06-13 US claimed
CN-101679198-B Method for isomerizing allyl compounds MITSUBISHI CHEM CORP 2014-07-09 CN disclosed
CN-101679198-A Method for isomerizing allyl compounds MITSUBISHI CHEM CORP 2010-03-24 CN disclosed
US-4806679-A GAS OR LIQUID PHASE CATALYSIS WITH ZEOLITE; INTERMEDIATES BASF AKTIENGESELLSCHAFT (DE) 1989-02-21 US disclosed
EP-0132737-B1 PROCESS FOR THE ISOMERIZATION OF DIACYLOXYBUTENES BASF Aktiengesellschaft (DE) 1988-01-07 EP disclosed
EP-0132737-A2 Process for the isomerization of diacyloxybutenes BASF Aktiengesellschaft (DE) 1985-02-13 EP disclosed
US-4238356-A REACTION PRODUCT OF A CARBOXYLIC ACID, SELENIUM DIOXIDE, A HYDROXIDE OR ACID SALT, AND AN ACID ANHYDRIDE PHILLIPS PETROLEUM COMPANY (US) 1980-12-09 US disclosed
US-4182901-A AND SUITABLE CARBOXYLIC ACID PHILLIPS PETROLEUM COMPANY (US) 1980-01-08 US disclosed
US-4095030-A CARBOXYLIC ACID SALTS, DILUENTS PHILLIPS PETROLEUM COMPANY (US) 1978-06-13 US disclosed