SCHEMBL8086322

SCHEMBL8086322

CC1=NN(CCO)C(=Cc2ccc(O)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
EGFR P00533 1/20 0.40
AKR1B1 P15121 3/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
F3 P13726 1/20 0.36
HSD11B1 P28845 1/20 0.36
EP300 Q09472 1/20 0.35
TYR P14679 1/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
SIRT5 Q9NXA8 1/20 0.34
CYP26A1 O43174 1/20 0.33
MIF P14174 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
SCHEMBL6654152 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EAKR1B1MEN1KMT2A
SCHEMBL6657987 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EAKR1B1MEN1KMT2A
SCHEMBL14041334 0.65 MEN1 (0.57) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6654033 0.65 ALDH1A1 (0.57) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL4746215 0.65 MEN1 (0.57) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6657626 0.61 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL30366991 0.61 CYP2C9 (0.41) ALDH1A1KDM4EEGFRAKR1B1MEN1
SCHEMBL3712821 0.60 KDM4E (0.41) ALDH1A1KDM4EEGFRAKR1B1MEN1
SCHEMBL12960508 0.60 AKR1B1 (0.63) ALDH1A1KDM4EAKR1B1MAPTCYP2C9
SCHEMBL3782366 0.60 AKR1B1 (0.63) ALDH1A1KDM4EAKR1B1MAPTCYP2C9

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-1041953-A1 AGENTS AND METHOD FOR PRODUCING TEMPORARY COLORATIONS OF KERATIN FIBERS Wella Aktiengesellschaft (DE) 2000-10-11 EP disclosed
WO-1999059528-A2 AGENTS AND METHOD FOR PRODUCING TEMPORARY COLORATIONS OF KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed