SCHEMBL9269048

SCHEMBL9269048

CCCCCC(=O)Oc1ccc(-c2cnc(-c3ccc(CCC)cc3)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 6/20 0.46
▸ MAPT P10636 5/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ THRB P10828 5/20 0.45
▸ NPC1 O15118 3/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ RARA P10276 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ THRA P10827 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
SCHEMBL9268968 0.99 RARB (0.48) RARBMAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL9270491 0.96 MAPT (0.46) RARBMAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL9270924 0.95 KMT2A (0.52) RARBMAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL9270025 0.94 KMT2A (0.54) RARBMAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL10427620 0.94 KMT2A (0.54) RARBMAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL9273576 0.94 KMT2A (0.54) RARBMAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL9270073 0.94 KMT2A (0.54) RARBMAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL9270741 0.94 KMT2A (0.54) RARBMAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL7646144 0.94 KMT2A (0.54) RARBMAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL9269704 0.93 MAPT (0.52) RARBMAPTSMN1; SMN2KMT2ARAB9A

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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