SCHEMBL9488778

SCHEMBL9488778

C=CC(=O)OCCCCCCCCCCCCCCOC1(C(=O)OCC(C)CC)C=CC(c2ccccc2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 2/20 0.34
HPGD P15428 1/20 0.33
PPARG P37231 3/20 0.32
MAPT P10636 1/20 0.32
THRA P10827 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL9488333 1.00 TSHR (0.35) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL10703124 0.91 SLC10A2 (0.35) PPARGMAPT
SCHEMBL10703978 0.91 SLC10A2 (0.35) PPARGMAPT
SCHEMBL9491600 0.88 TSHR (0.37) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9489836 0.86 TSHR (0.37) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9486979 0.86 TSHR (0.37) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL10703358 0.84 PPARG (0.31) PPARGMAPTCHRM2CHRM4CHRM1
SCHEMBL9487207 0.83 TSHR (0.44) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9487483 0.83 TSHR (0.44) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9487235 0.80 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