SCHEMBL9836236

SCHEMBL9836236

O=C(O)C1=Cc2cc(C(O)c3cccnc3)sc2CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.59
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP17A1 P05093 1/20 0.38
CYP11B1 P15538 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSA P10619 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
APP P05067 1/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CFTR P13569 1/20 0.33

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
SCHEMBL9835661 0.87 TBXAS1 (0.46) TBXAS1TSHRSMN1; SMN2CYP17A1CYP11B1
SCHEMBL9837224 0.82 TBXAS1 (0.43) TBXAS1TSHRSMN1; SMN2CYP17A1CYP11B1
SCHEMBL9836166 0.74 TBXAS1 (1.00) TBXAS1CYP17A1CYP11B1MEN1KMT2A
SCHEMBL9837543 0.70 TSHR (0.40) TSHRSMN1; SMN2CYP11B1LMNAL3MBTL1
SCHEMBL7246231 0.68 TSHR (0.67) TSHRSMN1; SMN2CYP17A1CYP11B1LMNA
SCHEMBL9834753 0.68 TBXAS1 (0.45) TBXAS1
SCHEMBL24620828 0.65 SMN1; SMN2 (0.54) TSHRSMN1; SMN2CYP17A1LMNAL3MBTL1
SCHEMBL4166356 0.64 KDM4C (0.38) TBXAS1CYP11B1L3MBTL1GAAMEN1
SCHEMBL1242879 0.64 SMN1; SMN2 (0.87) TSHRSMN1; SMN2CYP17A1CYP11B1LMNA
SCHEMBL24621250 0.64 TSHR (0.56) TSHRSMN1; SMN2CYP17A1CYP11B1LMNA

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-0240107-B1 THIANAPHTHENE DERIVATIVES, THEIR PRODUCTION AND USE Sankyo Company Limited (JP) 1991-08-21 EP disclosed