SCHEMBL9587353

SCHEMBL9587353

CCOC(=O)C(=Cc1ccccc1)N(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
NR1H4 Q96RI1 1/20 0.51
MAPT P10636 7/20 0.50
LMNA P02545 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
S1PR4 O95977 1/20 0.50
S1PR1 P21453 1/20 0.50
POLB P06746 2/20 0.47
PLIN1 O60240 1/20 0.47
PLIN5 Q00G26 1/20 0.47
ABHD5 Q8WTS1 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.46
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 2/20 0.45

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
SCHEMBL9587350 1.00 MEN1 (0.68) MEN1KMT2ANR1H4MAPTLMNA
SCHEMBL27556579 0.83 ALDH1A1 (0.50) MEN1KMT2AMAPTLMNANPSR1
Benzene SCHEMBL27988126 0.81 MEN1 (1.00) MEN1KMT2ANR1H4MAPTLMNA
SCHEMBL935186 0.81 MEN1 (1.00) MEN1KMT2ANR1H4MAPTLMNA
SCHEMBL2391130 0.80 MEN1 (0.77) MEN1KMT2ANR1H4MAPTLMNA
SCHEMBL1676043 0.80 MEN1 (0.77) MEN1KMT2ANR1H4MAPTLMNA
Malonic Acid Diethyl Ester SCHEMBL8368278 0.79 MEN1 (0.87) MEN1KMT2ANR1H4MAPTLMNA
SCHEMBL28291149 0.78 MEN1 (0.47) MEN1KMT2ANR1H4MAPTLMNA
Butane SCHEMBL6828046 0.78 MEN1 (0.93) MEN1KMT2ANR1H4MAPTLMNA
SCHEMBL321698 0.78 MEN1 (0.74) MEN1KMT2ANR1H4MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5204482-A Ethylenediamine monoamide heteroaryl derivatives HOFFMAN-LAROCHE INC. (US) 1993-04-20 US disclosed
US-4592906-A Ester of p-dimethylaminocinnamic acid GRAESSER LABORATORIES, LTD. (GB) 1986-06-03 US disclosed
EP-0153089-A1 Ultra-violet absorbing compounds and compositions containing said compounds GRAESSER LABORATORIES LIMITED (GB) 1985-08-28 EP disclosed