SCHEMBL14046972

SCHEMBL14046972

Bc1cccc(C=O)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.61
TLR2 O60603 1/20 0.52
TLR1 Q15399 1/20 0.52
TLR6 Q9Y2C9 1/20 0.52
TRIM24 O15164 1/20 0.48
TRIM33 Q9UPN9 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
IAPP P10997 1/20 0.37
SRC P12931 1/20 0.36
CYP2A6 P11509 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL419950 0.83 ERN1 (0.76) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL29407137 0.76 ERN1 (1.00) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL36440 0.76 ERN1 (1.00) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL16439936 0.76 ERN1 (0.67) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL31152506 0.76 ERN1 (0.67) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL6745191 0.75
SCHEMBL12807426 0.74 MEN1 (0.48) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL14034744 0.74
SCHEMBL24801295 0.73 KMT2A (0.46) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL3728767 0.73 ERN1 (0.61) ERN1TLR2TLR1TLR6TRIM24

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
WO-2008130464-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA, INC. (US) 2008-10-30 WO disclosed
WO-2008024337-A2 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY, INC. (US) 2008-02-28 WO disclosed