SCHEMBL9825639

SCHEMBL9825639

CCCOC(=O)C=Cc1cccc(-c2ccc(Cl)cc2Cl)c1-n1ccnc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 1/20 0.37
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
CNR1 P21554 1/20 0.36
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
APP P05067 1/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
ADH5 P11766 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL9825635 1.00 MAPT (0.38) MAPTMEN1KMT2ALMNAITGB2
SCHEMBL9825265 0.93 CCNC (0.39) MAPTMEN1KMT2ALMNAITGB2
SCHEMBL9826644 0.93 CCNC (0.39) MAPTMEN1KMT2ALMNAITGB2
SCHEMBL9825713 0.85 LMNA (0.40) MAPTMEN1KMT2ALMNAITGB2
SCHEMBL9825707 0.85 LMNA (0.40) MAPTMEN1KMT2ALMNAITGB2
SCHEMBL3680916 0.72 ALDH1A1 (0.42) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10924250 0.67 MAPT (0.39) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL10924252 0.67 MAPT (0.39) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL11856749 0.67 HSD11B1 (0.47) MAPTMEN1KMT2ALMNACNR1
Ethyl 3-(2,4-Dichlorophenyl)Acrylate SCHEMBL28066301 0.65 LMNA (0.53) MAPTMEN1KMT2ALMNAALDH1A1

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-0195414-B1 2-AZOLYLPROPIONATE DERIVATIVES AND FUNGICIDES CONTAINING THE SAME SDS Biotech K.K. (JP) 1991-02-27 EP disclosed
US-4767752-A Imidazolyl or triazolyl substituted propionate derivative and nonmedical fungicide containing the same S.D.S. BIOTECH K.K. (JP) 1988-08-30 US disclosed