SCHEMBL29050822

SCHEMBL29050822

O=C(O)CCNC(=O)CC(CC(=O)O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
KDM4E B2RXH2 1/20 0.55
RECQL P46063 1/20 0.55
GABBR2 O75899 1/20 0.53
GABBR1 Q9UBS5 1/20 0.53
APEX1 P27695 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
POLB P06746 1/20 0.49
FNTA P49354 6/20 0.48
FNTB P49356 6/20 0.48
HPGD P15428 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL2222874 0.84 MAPT (0.56) MAPTKDM4ERECQLGABBR2GABBR1
SCHEMBL10789520 0.84 HPGD (0.46) MAPTKDM4ERECQLHPGDALDH1A1
SCHEMBL7815058 0.81 MAPT (0.59) MAPTKDM4ERECQLGABBR2GABBR1
SCHEMBL503819 0.80 GABBR2 (0.76) MAPTKDM4ERECQLGABBR2GABBR1
SCHEMBL6734410 0.78 GABBR2 (0.73) MAPTKDM4ERECQLGABBR2GABBR1
Hydrochloric Acid SCHEMBL7092228 0.78 GABBR2 (0.73) MAPTKDM4ERECQLGABBR2GABBR1
SCHEMBL8333167 0.78 ATM (0.73) MAPTKDM4ERECQLGABBR2GABBR1
SCHEMBL12442271 0.77 FNTA (0.68) MAPTKDM4ERECQLFNTAFNTB
SCHEMBL2878463 0.75 GABBR2 (0.63) MAPTKDM4ERECQLGABBR2GABBR1
SCHEMBL7812090 0.75 LMNA (0.60) MAPTKDM4ERECQLGABBR2GABBR1

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
CN-116322616-A Hair lightening compositions providing damage protection and sensory benefits and methods of use 欧莱雅 2023-06-23 CN disclosed