SCHEMBL8655185

SCHEMBL8655185

CC(NC(=O)c1ccccc1C(=O)O)C(=O)OO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 9/20 0.47
HPGD P15428 6/20 0.47
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 3/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
APEX1 P27695 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL550463 0.83 ALDH1A1 (0.56) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8655633 0.80 KMT2A (0.48) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11618927 0.79 ALDH1A1 (0.47) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL721517 0.79 PADI1 (0.47) KMT2AALDH1A1KDM4EMEN1CYP3A4
SCHEMBL14015339 0.78 ALDH1A1 (0.54) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11111257 0.77 ALDH1A1 (0.56) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11111255 0.77 ALDH1A1 (0.56) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL12170872 0.76 ALDH1A1 (0.52) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7150322 0.76 ALDH1A1 (0.52) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL799662 0.75 KMT2A (0.75) KMT2AALDH1A1HPGDKDM4EHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711277-B1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER PLC (GB) 1998-10-14 EP disclosed
US-5672295-A INHIBIT DYE TRANSFER LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1997-09-30 US disclosed
EP-0711277-A1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER PLC (GB) 1996-05-15 EP disclosed
WO-1995003276-A1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER N.V. (NL) 1995-02-02 WO disclosed