SCHEMBL9815043

SCHEMBL9815043

O=C(O)CCC(=O)Nc1cccc2cc3ccccc3cc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.57
POLB P06746 2/20 0.56
CYP2C19 P33261 4/20 0.54
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
TSHR P16473 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SHMT2 P34897 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CYP2C9 P11712 1/20 0.47
HTT P42858 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
SCHEMBL9815029 0.86 ALDH1A1 (0.54) CYP1A2POLBCYP2C19MAPTSMN1; SMN2
SCHEMBL890383 0.86 CYP1A2 (0.70) CYP1A2POLBCYP2C19MAPTSMN1; SMN2
SCHEMBL9815026 0.84 ALDH1A1 (0.51) CYP1A2POLBCYP2C19MAPTSMN1; SMN2
SCHEMBL8579316 0.81 TERT (0.57) CYP1A2POLBCYP2C19MAPTSMN1; SMN2
SCHEMBL8655906 0.80 KDM4E (0.62) CYP1A2CYP2C19MAPTSMN1; SMN2KDM4E
SCHEMBL9815030 0.80 EP300 (0.60) CYP1A2POLBCYP2C19SMN1; SMN2KDM4E
SCHEMBL9815992 0.80 CYP1A2 (0.49) CYP1A2POLBCYP2C19MAPTSMN1; SMN2
SCHEMBL28140458 0.77 KDM4E (0.72) CYP1A2POLBCYP2C19MAPTSMN1; SMN2
SCHEMBL1566759 0.77 KDM4E (0.62) CYP1A2POLBCYP2C19MAPTSMN1; SMN2
SCHEMBL27909133 0.77 CYP1A2 (0.62) CYP1A2CYP2C19MAPTKDM4EALDH1A1

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-0447949-A1 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-09-25 EP disclosed