SCHEMBL9266296

SCHEMBL9266296

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.50
▸ MAPT P10636 6/20 0.50
▸ KMT2A Q03164 6/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ THRB P10828 3/20 0.48
▸ ESR1 P03372 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ ELANE P08246 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PLA2G1B P04054 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ RARB P10826 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL9261441 0.91 MAPT (0.53) SMN1; SMN2MAPTKMT2ARAB9ANPC1
SCHEMBL9269967 0.91 KMT2A (0.51) SMN1; SMN2MAPTKMT2ARAB9ANPC1
SCHEMBL9272600 0.90 MAPT (0.55) SMN1; SMN2MAPTKMT2ARAB9ANPC1
SCHEMBL9270491 0.89 MAPT (0.46) SMN1; SMN2MAPTKMT2ARAB9ANPC1
SCHEMBL9271331 0.88 MAPT (0.49) SMN1; SMN2MAPTKMT2ARAB9ANPC1
SCHEMBL9269048 0.88 RARB (0.46) SMN1; SMN2MAPTKMT2ARAB9ANPC1
SCHEMBL9268968 0.87 RARB (0.48) SMN1; SMN2MAPTKMT2ARAB9ANPC1
SCHEMBL20593516 0.83 THRB (0.64) SMN1; SMN2MAPTKMT2ARAB9ANPC1
SCHEMBL9272965 0.83 MAPT (0.52) SMN1; SMN2MAPTKMT2ARAB9ANPC1
SCHEMBL9269704 0.83 MAPT (0.52) SMN1; SMN2MAPTKMT2ARAB9ANPC1

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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