SCHEMBL9820432

SCHEMBL9820432

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 2/20 0.39
ABCB11 O95342 1/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
MAOB P27338 1/20 0.38
THRB P10828 2/20 0.38
PPARG P37231 8/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
BCL2A1 Q16548 2/20 0.36
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 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 0.84 PPARA (0.36) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL9820429 0.76 PPARA (0.42) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL2033727 0.76 CYP1A2 (0.46) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL8667104 0.75 CYP1A2 (0.44) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL29129025 0.74 TSHR (0.36) CYP3A4TSHRTHRB
SCHEMBL27869189 0.70 TSHR (0.34) CYP3A4TSHRTHRBNPSR1
SCHEMBL8957651 0.68 AR (0.37) GAAEPHX2MEN1MAPTKMT2A
SCHEMBL476290 0.68 THRB (0.55) PPARACYP1A2CYP3A4THRBCYP2C19
SCHEMBL8667107 0.68 PPARA (0.46) PPARACYP1A2CYP3A4PMP22MAOB
SCHEMBL28873659 0.67 TSHR (0.42) CYP3A4TSHRTHRB

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