SCHEMBL6936259

SCHEMBL6936259

CO/C=C(/C(=O)OC)c1ccccc1CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
ADRB2 P07550 1/20 0.50
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 2/20 0.47
SCN1A P35498 3/20 0.45
SCN2A Q99250 3/20 0.45
SCN3A Q9NY46 3/20 0.45
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL7165118 1.00 ALDH1A1 (0.50) ALDH1A1ADRB2HTTMAPTLMNA
SCHEMBL10654350 1.00 ALDH1A1 (0.50) ALDH1A1ADRB2HTTMAPTLMNA
SCHEMBL9736591 0.90 KMT2A (0.46) ALDH1A1ADRB2HTTMAPTLMNA
SCHEMBL9736585 0.90 KMT2A (0.46) ALDH1A1ADRB2HTTMAPTLMNA
SCHEMBL7170181 0.89 KMT2A (0.49) ALDH1A1ADRB2HTTMAPTLMNA
SCHEMBL10654355 0.89 ALDH1A1 (0.52) ALDH1A1ADRB2HTTMAPTLMNA
SCHEMBL9944266 0.84 HPGD (0.41) ALDH1A1HTTLMNAKDM4ETSHR
SCHEMBL7658965 0.82 HPGD (0.46) ALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL7658957 0.82 HPGD (0.46) ALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL7658954 0.82 HPGD (0.46) ALDH1A1LMNAKDM4EL3MBTL1

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-0178826-B2 Fungicides SYNGENTA LTD (GB) 2003-04-09 EP disclosed
EP-0178826-B1 FUNGICIDES ZENECA LIMITED (GB) 1991-12-18 EP disclosed