SCHEMBL3288652

SCHEMBL3288652

O=C(NCc1ccc(O)c(O)c1)C(O)COc1ccc(O)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 11/20 0.57
ERCC4 Q92889 11/20 0.57
KDM6B O15054 1/20 0.47
ADRB2 P07550 2/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.44
LCK P06239 1/20 0.44
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL108628 0.77 ERCC1 (0.79) ERCC1ERCC4TRPV1
SCHEMBL28368385 0.75 ERCC1 (0.79) ERCC1ERCC4LCKTRPV1
SCHEMBL109055 0.75 ADRB3 (0.65) ADRB2ADRB1ADRB3
SCHEMBL14163016 0.73 ERCC1 (1.00) ERCC1ERCC4LCKTRPV1
SCHEMBL8108684 0.73 ALOX15 (0.59) ERCC1ERCC4ADRB2LCK
SCHEMBL7947252 0.73 ERCC1 (0.65) ERCC1ERCC4LCKTRPV1
SCHEMBL6489950 0.72 KMT2A (0.54) ERCC1ERCC4ADRB2ADRB1ADRB3
SCHEMBL6364316 0.70 ERCC1 (0.72) ERCC1ERCC4KDM6B
SCHEMBL175299 0.70 ERCC1 (0.66) ERCC1ERCC4LCKTRPV1
SCHEMBL107288 0.70 ERCC1 (0.66) ERCC1ERCC4TRPV1

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
US-7714170-B2 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis PROTEOTECH, INC. (US) 2010-05-11 US claimed