SCHEMBL9761385

SCHEMBL9761385

CSc1cccc(Oc2ccccc2C=O)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.49
TLR2 O60603 1/20 0.49
TLR1 Q15399 1/20 0.49
TLR6 Q9Y2C9 1/20 0.49
LMNA P02545 3/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SRC P12931 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TRIM24 O15164 1/20 0.38

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
SCHEMBL6243158 0.80 ERN1 (0.62) ERN1TLR2TLR1TLR6LMNA
SCHEMBL986274 0.80 ERN1 (0.55) ERN1TLR2TLR1TLR6LMNA
SCHEMBL4434944 0.76 LMNA (0.75) ERN1TLR2TLR1TLR6LMNA
SCHEMBL9639641 0.74 LMNA (0.72) ERN1TLR2TLR1TLR6LMNA
SCHEMBL31599172 0.74 LMNA (0.72) ERN1TLR2TLR1TLR6LMNA
SCHEMBL8371447 0.73 LMNA (0.60) ERN1TLR2TLR1TLR6LMNA
Phenol SCHEMBL10718089 0.73 LMNA (0.66) ERN1TLR2TLR1TLR6LMNA
SCHEMBL11123887 0.73 ERN1 (0.62) ERN1TLR2TLR1TLR6LMNA
SCHEMBL21104414 0.73 SLC6A4 (0.36) LMNAKMT2AGAAALDH1A1HPGD
SCHEMBL173014 0.72 LMNA (0.55) ERN1LMNAKMT2AGAAALDH1A1

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-5001123-A 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO., INC. (US) 1991-03-19 US disclosed