SCHEMBL7969296

SCHEMBL7969296

CNC(=O)C(OC)c1ccccc1COc1cc(C)cc(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
LPAR1 Q92633 1/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL15402001 0.88 MRGPRX4 (0.43) MAPK1L3MBTL1ALDH1A1FABP4FABP5
SCHEMBL29365871 0.88 SMN1; SMN2 (0.45) MEN1KMT2AALDH1A1FABP4FABP5
SCHEMBL29368766 0.88 SMN1; SMN2 (0.45) MEN1KMT2AALDH1A1FABP4FABP5
SCHEMBL29371189 0.88 SMN1; SMN2 (0.45) MEN1KMT2AALDH1A1FABP4FABP5
SCHEMBL230669 0.88 SMN1; SMN2 (0.45) MEN1KMT2AALDH1A1FABP4FABP5
SCHEMBL182597 0.88 SMN1; SMN2 (0.45) MEN1KMT2AALDH1A1FABP4FABP5
SCHEMBL16858325 0.88 SMN1; SMN2 (0.45) MEN1KMT2AALDH1A1FABP4FABP5
SCHEMBL29354984 0.88 SMN1; SMN2 (0.45) MEN1KMT2AALDH1A1FABP4FABP5
SCHEMBL15402300 0.87 FABP4 (0.42) MEN1KMT2AL3MBTL1ALDH1A1FABP4
SCHEMBL15401968 0.86 LMNA (0.41) MAPK1L3MBTL1FABP4FABP5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313150-B1 FOR CONTROLLING PHYTOPATHOGENIC FUNGI SHIONOGI & CO., LTD. (JP) 2001-11-06 US disclosed
EP-0754672-B1 GAMMA-SUBSTITUTED PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL BACTERICIDE CONTAINING THE SAME SHIONOGI & CO (JP) 2000-10-11 EP disclosed
US-5948819-A α-substituted phenylacetic acid derivative, its production and agricultural fungicide containing it SHIONOGI & CO., LTD (JP) 1999-09-07 US disclosed
EP-0754672-A1 GAMMA-SUBSTITUTED PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL BACTERICIDE CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1997-01-22 EP disclosed