SCHEMBL8373554

SCHEMBL8373554

O=Cc1ccc(OCCOC(=O)c2ccc(C(=O)OCCOc3ccc(C=O)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
ALDH1A1 P00352 6/20 0.53
LMNA P02545 3/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PKM P14618 2/20 0.50
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
PARP10 Q53GL7 2/20 0.47
PARP3 Q9Y6F1 1/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
KMT2A Q03164 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
SCHEMBL19219007 0.89 ALDH1A1 (0.62) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL14089606 0.88 MAPT (0.47) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL21908332 0.87 THRB (0.55) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL20464827 0.86 MAPT (0.58) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL19214420 0.85 ALDH1A1 (0.61) MAPTALDH1A1LMNASMN1; SMN2PKM
SCHEMBL210094 0.85 MAPT (0.77) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL23928035 0.84 ALDH1A1 (0.56) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL19218159 0.84 ALDH1A1 (0.56) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL23928034 0.84 ALDH1A1 (0.56) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL17466188 0.84 ALDH1A1 (0.43) MAPTALDH1A1LMNAHPGDSMN1; SMN2

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
EP-0802199-B1 Covalently bound dimers of glycopeptide antibiotics LILLY CO ELI (US) 1999-12-08 EP disclosed
EP-0801075-B1 Covalently linked dimers of glycopeptide antibiotics LILLY CO ELI (US) 1999-07-07 EP disclosed