SCHEMBL9488784

SCHEMBL9488784

C=CC(=O)OCCCCCCCCCCCCCCOC1(C(=O)OCC(C)CC)C=CC(c2ccccc2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.31
NR5A2 O00482 1/20 0.30
NR5A1 Q13285 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
SCHEMBL9488341 1.00 TSHR (0.33) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL10703131 0.91 NR5A2 (0.31) NR5A2NR5A1
SCHEMBL10703984 0.91 NR5A2 (0.31) NR5A2NR5A1
SCHEMBL11034477 0.89 NR5A1 (0.38) TSHRALDH1A1NR5A2NR5A1
SCHEMBL10770451 0.87 MAPT (0.32)
SCHEMBL9491604 0.86 TSHR (0.34) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL28981029 0.86 TSHR (0.35) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL27812818 0.86 CYP3A4 (0.36) TSHRALDH1A1CYP3A4THRB
SCHEMBL10703363 0.85 FAAH (0.31)
SCHEMBL9487489 0.84 TSHR (0.40) 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