SCHEMBL9491604

SCHEMBL9491604

C=CC(=O)OCCCCCCCCCCCCOC1(OCC(C)CC)C=CC(c2ccccc2)=CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 2/20 0.33
HPGD P15428 1/20 0.32
NR5A2 O00482 1/20 0.31
NR5A1 Q13285 1/20 0.31
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
SCHEMBL9487241 0.88 TSHR (0.34) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9488341 0.86 TSHR (0.33) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9488784 0.86 TSHR (0.33) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9489842 0.85 TSHR (0.35) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9486986 0.85 TSHR (0.35) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL27989443 0.80 THRB (0.38) TSHRALDH1A1CYP3A4THRBNR5A1
SCHEMBL9487489 0.78 TSHR (0.40) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL27812824 0.78 TSHR (0.40) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9487209 0.78 TSHR (0.40) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL10703131 0.77 NR5A2 (0.31) NR5A2NR5A1

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