SCHEMBL17417

SCHEMBL17417

Cc1ccc(Br)cc1C(=O)c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 7/20 0.55
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 3/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
CYP2C19 P33261 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL17193970 0.85 MAPT (0.54) HTTMAPTKMT2AMEN1NPC1
SCHEMBL15741091 0.85 MAPT (0.54) HTTMAPTKMT2ANPC1MAPK1
SCHEMBL10175303 0.82 HTT (0.59) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL2870865 0.82 MAPT (0.65) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL5682644 0.81 MAPT (0.50) HTTSMN1; SMN2MAPTCASP3SENP8
SCHEMBL25997184 0.81 MAPT (0.50) HTTMAPTKMT2AMEN1NPC1
SCHEMBL5682647 0.81 MAPT (0.50) HTTSMN1; SMN2MAPTNPC1MAPK1
SCHEMBL3467555 0.81 CASP3 (0.55) HTTSMN1; SMN2MAPTCASP3SENP8
SCHEMBL10877746 0.81 MAPT (0.71) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL30482609 0.79 ALDH1A1 (0.51) HTTSMN1; SMN2MAPTCASP3SENP8

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-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed
WO-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed