SCHEMBL8008962

SCHEMBL8008962

O=C(CCN1C(=O)c2ccccc2C1=O)N(CCN1C(=O)c2ccccc2C1=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
POLB P06746 1/20 0.50
MAOB P27338 4/20 0.49
HSD17B10 Q99714 3/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CASP3 P42574 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
SCHEMBL7999690 0.75 ALDH1A1 (0.57) ALDH1A1POLBMAOBHSD17B10KMT2A
SCHEMBL10950183 0.74 ALDH1A1 (0.47) ALDH1A1POLBMAOBKMT2AGAA
SCHEMBL23616323 0.74 TP53 (0.49) ALDH1A1L3MBTL1
SCHEMBL12650560 0.73 MAPK1 (0.45) ALDH1A1POLBMAOBKMT2AMAPK1
SCHEMBL8008629 0.72 POLB (0.64) ALDH1A1POLBKMT2AGAATSHR
SCHEMBL9472002 0.72 ALDH1A1 (0.60) ALDH1A1POLBHSD17B10KMT2AGAA
SCHEMBL8009232 0.72 PPIB (0.41) ALDH1A1KMT2AMAPK1TDP1L3MBTL1
SCHEMBL18970373 0.72 L3MBTL1 (0.59) ALDH1A1MAOBKMT2ASMN1; SMN2MAPK1
SCHEMBL8575004 0.71 POLB (0.56) ALDH1A1POLBKMT2AHPGDSMN1; SMN2
SCHEMBL135305 0.70 CA12 (0.66) ALDH1A1POLBHSD17B10KMT2AGAA

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
US-6056939-A Self-assembling heteropolymetallic chelates as imaging agents and radiopharmaceuticals BRACCO IMAGING S.P.A. (IT) 2000-05-02 US disclosed