SCHEMBL8930064

SCHEMBL8930064

CC(C)(OOC(C)(C)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.47
ALDH1A1 P00352 5/20 0.47
PPARA Q07869 6/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 2/20 0.37
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 2/20 0.34
FABP2 P12104 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL855979 0.91 TSHR (0.47) TSHRALDH1A1PPARACYP2D6CYP2C19
SCHEMBL758637 0.82 DGAT1 (0.43) TSHRALDH1A1PPARACYP2D6CYP2C19
SCHEMBL15375591 0.82 TSHR (0.36) TSHRALDH1A1PPARACYP2D6CYP2C19
SCHEMBL758636 0.80 TSHR (0.36) TSHRALDH1A1PPARACYP2D6CYP2C19
SCHEMBL1411956 0.76
SCHEMBL626444 0.76
SCHEMBL23567953 0.73 TSHR (0.42) TSHRALDH1A1PPARACYP2D6CYP2C19
SCHEMBL5800609 0.73
Hydrochloric Acid SCHEMBL8686731 0.73
SCHEMBL14533398 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2634198-B1 Copolymers containing phosphorylcholine groups and methods of preparing and using the same SUNTECH CO LTD (KR) 2014-09-17 EP claimed
EP-0242618-B1 Transparent optical article and process for preparing same NIPPON OILS & FATS CO LTD (JP) 1994-11-02 EP claimed
EP-0233299-B1 OPTICAL RESIN AND PROCESS FOR PREPARING THE SAME NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-03-13 EP claimed
CN-117143521-A Steel protective coating composition and preparation method and application thereof 雷神定制钢涂料有限责任公司 2023-12-01 CN disclosed
EP-2774968-B1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE JNC CORP (JP) 2019-11-20 EP disclosed
EP-0790289-A1 Polymeric material for liquid crystal/polymer composite film, liquid crystal/polymer composite film, record display medium, and use thereof DAI NIPPON PRINTING CO., LTD. (JP) 1997-08-20 EP disclosed