SCHEMBL9271331

SCHEMBL9271331

CCCc1ccc(-c2ncc(-c3ccc(OC(C)=O)cc3)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.49
▸ THRB P10828 3/20 0.49
▸ SMN1; SMN2 Q16637 7/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ CACNA1B Q00975 1/20 0.45
▸ APBA1 Q02410 1/20 0.45
▸ ACACB O00763 1/20 0.44
▸ ACACA Q13085 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PLA2G1B P04054 1/20 0.42
▸ ATG4B Q9Y4P1 1/20 0.42
▸ RARB P10826 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL9266037 0.91 MAPT (0.54) MAPTTHRBSMN1; SMN2HSD17B10KMT2A
SCHEMBL9265474 0.90 MAPT (0.56) MAPTTHRBSMN1; SMN2HSD17B10KMT2A
SCHEMBL9266296 0.88 SMN1; SMN2 (0.50) MAPTTHRBSMN1; SMN2HSD17B10KMT2A
SCHEMBL10306589 0.87 MAPT (0.60) MAPTTHRBSMN1; SMN2HSD17B10KMT2A
SCHEMBL9269967 0.87 KMT2A (0.51) MAPTTHRBSMN1; SMN2HSD17B10KMT2A
SCHEMBL17929336 0.86 MAPT (0.50) MAPTTHRBSMN1; SMN2HSD17B10KMT2A
SCHEMBL9270491 0.85 MAPT (0.46) MAPTTHRBSMN1; SMN2HSD17B10KMT2A
SCHEMBL9269048 0.84 RARB (0.46) MAPTTHRBSMN1; SMN2HSD17B10KMT2A
SCHEMBL9268968 0.83 RARB (0.48) MAPTTHRBSMN1; SMN2HSD17B10KMT2A
SCHEMBL10620525 0.82 RAB9A (0.56) MAPTSMN1; SMN2HSD17B10KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5393458-A Aromatic esters and liquid crystal mixtures containing same HOFFMANN-LA ROCHE INC. (US) 1995-02-28 — — US disclosed
US-5326498-A Electrooptics, ferroelectricity HOFFMANN-LA ROCHE INC. (US) 1994-07-05 — — US disclosed
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