SCHEMBL9269771

SCHEMBL9269771

CCCCCCCc1ccc(-c2ncc(-c3ccc(OC(=O)CCCC)cc3)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ RARB P10826 6/20 0.54
▸ RARA P10276 1/20 0.50
▸ MTOR P42345 1/20 0.50
▸ THRB P10828 2/20 0.49
▸ THRA P10827 1/20 0.49
▸ PLA2G4A P47712 2/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44

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
SCHEMBL9269704 0.99 MAPT (0.52) MAPTKMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL9270025 0.98 KMT2A (0.54) MAPTKMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL10427620 0.98 KMT2A (0.54) MAPTKMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL9273576 0.98 KMT2A (0.54) MAPTKMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL9270073 0.98 KMT2A (0.54) MAPTKMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL9270741 0.98 KMT2A (0.54) MAPTKMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL7646144 0.98 KMT2A (0.54) MAPTKMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL9270924 0.96 KMT2A (0.52) MAPTKMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL9266390 0.95 MAPT (0.54) MAPTKMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL9272965 0.94 MAPT (0.52) MAPTKMT2ASMN1; SMN2RAB9AMEN1

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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