SCHEMBL9487489

SCHEMBL9487489

C=CC(=O)OCCCCCCCCCCCCCCCCOC1(C(=O)O)C=CC(c2ccccc2)=CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.30
CHRM2 P08172 2/20 0.30
CHRM4 P08173 2/20 0.30
CHRM5 P08912 2/20 0.30
CHRM1 P11229 2/20 0.30
CHRM3 P20309 2/20 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
SCHEMBL27812824 1.00 TSHR (0.40) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9487209 1.00 TSHR (0.40) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL27812818 0.89 CYP3A4 (0.36) TSHRALDH1A1CYP3A4THRB
SCHEMBL8746286 0.89 HDAC3 (0.33) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL28981029 0.87 TSHR (0.35) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL8369044 0.87 GAA (0.34) ALDH1A1
SCHEMBL10442432 0.85 L3MBTL1 (0.36)
SCHEMBL27587151 0.85 TSHR (0.38) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9487291 0.84 HDAC3 (0.31)
SCHEMBL9490184 0.84 HDAC3 (0.31)

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