SCHEMBL4529776

SCHEMBL4529776

CN(C)c1ccc(C(=O)OC(=O)C(O)CO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.50
HPGD P15428 6/20 0.50
MAPT P10636 6/20 0.50
RAB9A P51151 6/20 0.49
KDM4E B2RXH2 5/20 0.49
NPC1 O15118 4/20 0.49
HSD17B10 Q99714 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 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
SCHEMBL8922492 0.87 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2TSHRLMNA
SCHEMBL6917169 0.82 MAPT (0.49) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL9699014 0.79 ALDH1A1 (0.64) ALDH1A1HPGDMAPTRAB9AKDM4E
SCHEMBL62519 0.79 LMNA (0.51) ALDH1A1MAPTRAB9ANPC1GAA
SCHEMBL3894587 0.79 PRKCA (0.36) ALDH1A1MAPTTSHRLMNACYP3A4
SCHEMBL3390 0.78 ALDH1A1 (0.55) ALDH1A1HPGDRAB9AKDM4ENPC1
SCHEMBL2138600 0.78 ALDH1A1 (0.57) ALDH1A1HPGDMAPTRAB9AKDM4E
SCHEMBL4345511 0.76 ALDH1A1 (0.51) ALDH1A1HPGDMAPTRAB9AKDM4E
SCHEMBL16174817 0.75 ALDH1A1 (0.53) ALDH1A1HPGDMAPTRAB9AKDM4E
Benzocaine SCHEMBL7263677 0.75 LMNA (0.69) ALDH1A1HPGDMAPTRAB9ANPC1

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-20090104135-A1 Use of Mineral/Organic Composite Material in the Form of an Ultraviolet Radiation Protective Agent LVMH RECHERCHE (FR) 2009-04-23 US disclosed