SCHEMBL8979356

SCHEMBL8979356

COC(=O)c1cc(Cl)cc(COC(C)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 3/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
YTHDC1 Q96MU7 1/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 4/20 0.42
SLC7A5 Q01650 1/20 0.40
S1PR4 O95977 1/20 0.40

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
SCHEMBL13034131 0.83 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8979333 0.83 SLC7A5 (0.58) ALDH1A1MAPTSMN1; SMN2HPGDCA12
SCHEMBL23032499 0.82 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL30546399 0.80 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7013307 0.80 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3639909 0.80 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14212712 0.80 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7019854 0.79 MAPT (0.44) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29508489 0.79 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8979331 0.79 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1037602-C N-acetophenone formamide and application as bactericide agent of same ROHM & HAAS (US) 1998-03-04 CN disclosed
EP-0604019-B1 N-Acetonylbenzamides and their use as fungicides ROHM & HAAS (US) 1996-05-08 EP disclosed
CN-1117961-A N-acetophenone formamide and application as bactericide agent of same ROHM & HAAS (US) 1996-03-06 CN disclosed
EP-0604019-A1 N-Acetonylbenzamides and their use as fungicides ROHM AND HAAS COMPANY (US) 1994-06-29 EP disclosed
US-5254584-A Controlling phytopathogens ROHM AND HAAS COMPANY (US) 1993-10-19 US disclosed