SCHEMBL10448207

SCHEMBL10448207

CCCOC(ON1C(=O)c2ccccc2C1=O)P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ GAA P10253 1/20 0.40
▸ TNF P01375 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ VDR P11473 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11032384 0.71 FDPS (0.43) —
SCHEMBL6625137 0.70 GAA (0.69) ALDH1A1GAATDP1CYP1A2CYP2C9
SCHEMBL16234615 0.69 GAA (0.44) ALDH1A1GAATNFTDP1CYP1A2
SCHEMBL4869158 0.69 GAA (0.47) ALDH1A1GAATNFTDP1CYP1A2
SCHEMBL3713532 0.69 GAA (0.47) ALDH1A1GAATNFCYP1A2CYP2C9
SCHEMBL15086925 0.68 GAA (0.44) ALDH1A1GAATDP1MAPTKDM4E
SCHEMBL4874091 0.67 GAA (0.46) ALDH1A1GAATNFTDP1CYP1A2
SCHEMBL15581867 0.67 GAA (0.46) ALDH1A1GAATNFTDP1CYP1A2
SCHEMBL22721297 0.67 GAA (0.42) ALDH1A1GAATDP1CYP1A2CYP2C9
SCHEMBL10852482 0.67 ALDH1A1 (0.48) ALDH1A1TDP1RECQL

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-0353955-A2 Novel compounds BEECHAM GROUP PLC (GB) 1990-02-07 — — EP disclosed
Send feedback