SCHEMBL9261441

SCHEMBL9261441

CCCCCc1ccc(-c2ncc(-c3ccc(OC(=O)CC)cc3)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ RARB P10826 7/20 0.53
▸ THRB P10828 2/20 0.50
▸ RARA P10276 1/20 0.49
▸ MTOR P42345 1/20 0.49
▸ THRA P10827 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47

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
SCHEMBL9272600 0.99 MAPT (0.55) MAPTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL9269704 0.92 MAPT (0.52) MAPTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL9272965 0.92 MAPT (0.52) MAPTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL9270924 0.92 KMT2A (0.52) MAPTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL9266296 0.91 SMN1; SMN2 (0.50) MAPTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL9273576 0.91 KMT2A (0.54) MAPTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL10427620 0.91 KMT2A (0.54) MAPTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL9266390 0.91 MAPT (0.54) MAPTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL9270741 0.91 KMT2A (0.54) MAPTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL9270025 0.91 KMT2A (0.54) MAPTSMN1; SMN2RAB9AKMT2AMEN1

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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