SCHEMBL9487207

SCHEMBL9487207

C=CC(=O)OCCCCCCCCCCCCOC1(C(=O)O)C=CC(c2ccccc2)C=C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 2/20 0.42
HPGD P15428 1/20 0.35
PPARG P37231 3/20 0.34
SIGMAR1 Q99720 4/20 0.34
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.30
THRA P10827 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
SCHEMBL9487483 1.00 TSHR (0.44) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9488333 0.83 TSHR (0.35) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL5828433 0.82 PPARG (0.45) TSHRALDH1A1CYP3A4PPARGTDP1
SCHEMBL4184936 0.82 PPARG (0.45) TSHRALDH1A1CYP3A4PPARGTDP1
SCHEMBL11363522 0.82 PPARG (0.45) TSHRALDH1A1CYP3A4PPARGTDP1
SCHEMBL9489836 0.81 TSHR (0.37) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9486979 0.81 TSHR (0.37) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL4128081 0.81 THRB (0.44) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9487235 0.79 TSHR (0.37) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9491600 0.79 TSHR (0.37) TSHRALDH1A1CYP3A4THRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0228703-B1 FERROELECTRIC LIQUID CRYSTAL POLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-03-10 EP disclosed