SCHEMBL6934396

SCHEMBL6934396

COC(=O)C1NN(c2ccccc2)C(=O)C1(O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GAA P10253 4/20 0.40
LMNA P02545 3/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SLC6A4 P31645 1/20 0.36
TSHR P16473 2/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2D6 P10635 1/20 0.34
GFER P55789 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL6933827 0.85 MEN1 (0.42) ALDH1A1GAAHTTKDM4ETSHR
SCHEMBL6930357 0.83 ALOX12 (0.35) ALDH1A1GAALMNAKDM4EL3MBTL1
SCHEMBL6932553 0.78 GAA (0.35) ALDH1A1GAALMNAKDM4EPOLB
SCHEMBL6931202 0.74 ALDH1A1 (0.41) ALDH1A1GAALMNAHSD17B10HTT
SCHEMBL6932809 0.72 GAA (0.35) ALDH1A1GAALMNAKDM4EKMT2A
SCHEMBL6932528 0.72 GAA (0.38) ALDH1A1GAALMNAKDM4EPOLB
SCHEMBL6733211 0.72 LMNA (0.38) ALDH1A1GAALMNAHSD17B10HTT
SCHEMBL6931558 0.71 ELANE (0.37) ALDH1A1GAALMNAHSD17B10KDM4E
SCHEMBL6931469 0.71 CA2 (0.35) ALDH1A1GAALMNAKDM4EKMT2A
SCHEMBL6933823 0.70 BRD4 (0.33) LMNAPOLB

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-0903342-B1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics OREAL (FR) 2003-12-17 EP claimed
EP-0903342-A1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics L'OREAL (FR) 1999-03-24 EP claimed
EP-0903342-B1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics OREAL (FR) 2003-12-17 EP disclosed
EP-0903342-A1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics L'OREAL (FR) 1999-03-24 EP disclosed