SCHEMBL9489461

SCHEMBL9489461

CC(Cl)COC(=O)C1(O)C=CC(c2ccccc2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
PPARG P37231 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KDM1A O60341 1/20 0.32
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
TP53 P04637 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
SCHEMBL9487762 0.86 MAPT (0.42) CACNA1FCACNA1DCACNA1SCACNA1CPPARG
SCHEMBL10589792 0.86 MAPT (0.42) CACNA1FCACNA1DCACNA1SCACNA1CPPARG
SCHEMBL3623069 0.82 TSHR (0.44) CACNA1DTSHRALDH1A1GAASMN1; SMN2
SCHEMBL8970777 0.77 MAPT (0.43) TSHRALDH1A1MAPTSMN1; SMN2ADORA3
SCHEMBL9852426 0.75 PPARG (0.50) PPARGTSHRALDH1A1SMN1; SMN2TP53
SCHEMBL1119643 0.71 THRB (0.35) KDM1A
SCHEMBL4128081 0.71 THRB (0.44) PPARGTSHRALDH1A1TP53
SCHEMBL1966607 0.69 TSHR (0.45) CACNA1DTSHRALDH1A1GAASMN1; SMN2
SCHEMBL10607021 0.67 TSHR (0.43) CACNA1DTSHRALDH1A1GAASMN1; SMN2
SCHEMBL9681225 0.67 ALDH1A1 (0.39) PPARGALDH1A1

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