SCHEMBL9265474

SCHEMBL9265474

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ RARB P10826 7/20 0.56
▸ RARA P10276 1/20 0.52
▸ MTOR P42345 1/20 0.52
▸ THRB P10828 3/20 0.51
▸ THRA P10827 2/20 0.51
▸ PLA2G4A P47712 1/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45

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 0.99 MAPT (0.54) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL9271331 0.90 MAPT (0.49) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL9272600 0.89 MAPT (0.55) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL9224060 0.88 THRB (0.62) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL9266390 0.88 MAPT (0.54) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL9270741 0.88 KMT2A (0.54) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL10427620 0.88 KMT2A (0.54) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL9273576 0.88 KMT2A (0.54) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL9270025 0.88 KMT2A (0.54) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL9270073 0.88 KMT2A (0.54) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A

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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