SCHEMBL13785245

SCHEMBL13785245

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C(=O)OCCCCCCCCCOc3ccc(-c4ccc(CCCCCCCC)cn4)cc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.57
▸ SMN1; SMN2 Q16637 6/20 0.57
▸ THRB P10828 3/20 0.51
▸ NPC1 O15118 6/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ NFKB2 Q00653 2/20 0.46
▸ RELA Q04206 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CASP3 P42574 2/20 0.43
▸ SENP8 Q96LD8 2/20 0.43
▸ SENP7 Q9BQF6 2/20 0.43
▸ SENP6 Q9GZR1 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ STAT3 P40763 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ LMNA P02545 2/20 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
SCHEMBL4341913 0.93 MAPT (0.50) MAPTSMN1; SMN2THRBNPC1RAB9A
SCHEMBL4332253 0.92 MAPT (0.46) MAPTSMN1; SMN2THRBNPC1RAB9A
SCHEMBL4338293 0.91 THRB (0.48) MAPTSMN1; SMN2THRBNPC1NFKB1
SCHEMBL9722390 0.91 MAPT (0.68) MAPTSMN1; SMN2THRBNPC1RAB9A
SCHEMBL9722301 0.91 MAPT (0.68) MAPTSMN1; SMN2THRBNPC1RAB9A
SCHEMBL9722257 0.91 MAPT (0.68) MAPTSMN1; SMN2THRBNPC1RAB9A
SCHEMBL9722195 0.91 MAPT (0.68) MAPTSMN1; SMN2THRBNPC1RAB9A
SCHEMBL9722239 0.91 MAPT (0.68) MAPTSMN1; SMN2THRBNPC1RAB9A
SCHEMBL9722126 0.91 MAPT (0.68) MAPTSMN1; SMN2THRBNPC1RAB9A
SCHEMBL9722295 0.91 MAPT (0.68) MAPTSMN1; SMN2THRBNPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169293-B1 LIQUID CRYSTAL COMPOUNDS ROLIC AG (CH) 2009-07-22 — — EP disclosed
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