SCHEMBL11292514

SCHEMBL11292514

O=C(CCON1C(=O)c2ccccc2C1=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CDC25B P30305 1/20 0.48
CTRB1 P17538 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL30136944 0.83 ALDH1A1 (0.49) GAAALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL28917618 0.83 ALDH1A1 (0.49) GAAALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL3234987 0.80 LMNA (0.63) GAAMAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL30549154 0.80 LMNA (0.63) GAAMAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL5422450 0.79 GAA (0.57) GAAALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL20083679 0.79 ALDH1A1 (0.63) ALDH1A1MEN1MAPTKMT2AMAPK1
SCHEMBL32680081 0.79 GAA (0.57) GAAALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL14699920 0.79 GAA (0.57) GAAALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL6789754 0.79 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL10725421 0.78 L3MBTL1 (0.59) ALDH1A1L3MBTL1TDP1SMN1; SMN2

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-0064582-A1 Starting compounds for preparing cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-11-17 EP disclosed