SCHEMBL5705696

SCHEMBL5705696

C=C(NC(=O)Nc1ccc(C)c(O)c1)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 2/20 0.41
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
CA2 P00918 1/20 0.37

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
SCHEMBL5705920 0.88 ALDH1A1 (0.51) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL28804283 0.85 ALDH1A1 (0.50) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL5705914 0.80 MAOA (0.49) ALDH1A1KMT2AMEN1CYP3A4GAA
SCHEMBL5705950 0.80 ALDH1A1 (0.48) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL5705891 0.78 ALDH1A1 (0.53) ALDH1A1KMT2ACYP1A2MEN1RAB9A
SCHEMBL28804190 0.76 ALDH1A1 (0.48) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL7093312 0.75 ALDH1A1 (0.58) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL11518967 0.75 ALDH1A1 (0.58) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL5705929 0.74 GAA (0.50) ALDH1A1KMT2AMEN1GAARAB9A
SCHEMBL3250193 0.74 ALDH1A1 (0.45) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1705004-B1 Planographic printing plate precursor FUJIFILM CORP (JP) 2013-09-25 EP disclosed
EP-1705004-A1 Planographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2006-09-27 EP disclosed