SCHEMBL9820429

SCHEMBL9820429

C=CC(=O)OC(OCC)(Oc1ccc(Cl)cc1)C(OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
ABCB11 O95342 2/20 0.42
TSHR P16473 2/20 0.42
HTR2A P28223 2/20 0.42
PMP22 Q01453 2/20 0.42
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 1/20 0.38
OPRK1 P41145 1/20 0.37
ALDH1A1 P00352 3/20 0.36
THRB P10828 2/20 0.35
FFAR1 O14842 1/20 0.35
PPARG P37231 3/20 0.34
FABP2 P12104 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
BCL2A1 Q16548 2/20 0.34

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
SCHEMBL9820430 0.88 PPARA (0.36) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL18426492 0.88 THRB (0.40) PPARAMAPTALDH1A1THRBFFAR1
SCHEMBL29129026 0.80 TSHR (0.36) CYP3A4TSHRALDH1A1THRBHPGD
SCHEMBL9820432 0.76 PPARA (0.39) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL5344254 0.73 PPARA (0.51) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL28873660 0.70 TSHR (0.39) CYP3A4TSHRALDH1A1THRBHPGD
SCHEMBL29129025 0.68 TSHR (0.36) CYP3A4TSHRALDH1A1THRBHPGD
SCHEMBL28551126 0.67 THRB (0.36) PPARACYP3A4TSHRCYP2D6ALDH1A1
SCHEMBL2768277 0.66 THRB (0.43) PPARACYP3A4MAPTCYP2C19KMT2A
SCHEMBL476290 0.65 THRB (0.55) PPARACYP1A2CYP3A4MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0128014-B2 PHOTOPOLYMERIZABLE COMPOSITION, PRODUCTS MADE THEREFROM AND PROCESSES FOR PREPARING SUCH PRODUCTS MORTON THIOKOL, INC. (US) 1991-08-21 EP disclosed
EP-0128014-B1 PHOTOPOLYMERIZABLE COMPOSITION, PRODUCTS MADE THEREFROM AND PROCESSES FOR PREPARING SUCH PRODUCTS MORTON THIOKOL, INC. (US) 1988-03-09 EP disclosed
US-4610951-A Process of using a flexible, fast processing photopolymerizable composition DYNACHEM CORPORATION (US) 1986-09-09 US disclosed
US-4539286-A PRINTED CIRCUITS DYNACHEM CORPORATION (US) 1985-09-03 US disclosed
EP-0128014-A2 Photopolymerizable composition, products made therefrom and processes for preparing such products MORTON THIOKOL, INC. (US) 1984-12-12 EP disclosed