SCHEMBL7872444

SCHEMBL7872444

CCON=C(C(C)=O)c1ccc(OC[Si](C)(C)c2ccc(F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.40
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
CHRNA7 P36544 1/20 0.35
LMNA P02545 1/20 0.35
PTBP1 P26599 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR4A2 P43354 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
PARP10 Q53GL7 2/20 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
SCHEMBL7868730 0.88 LMNA (0.35) MAOBPPARGPPARAHRH2HRH1
SCHEMBL7868766 0.86 MAOB (0.43) MAOBHRH2HRH1LMNASMN1; SMN2
SCHEMBL7868764 0.86 MAOB (0.43) MAOBHRH2HRH1LMNASMN1; SMN2
SCHEMBL7870369 0.77 CXCR1 (0.34) PPARGPPARALMNASMN1; SMN2ALDH1A1
SCHEMBL7863503 0.73 MAOB (0.47) MAOBLMNASMN1; SMN2NR4A2GAA
SCHEMBL13606734 0.70 KMT2A (0.42) MAOBPPARGPPARALMNASMN1; SMN2
SCHEMBL8721332 0.69 MAPT (0.44) MAOBLMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL7863565 0.68 SMN1; SMN2 (0.44) MAOBLMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL7863569 0.68 SMN1; SMN2 (0.44) MAOBLMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL10489482 0.65 ALDH1A1 (0.54) LMNAALDH1A1GAACYP1A2PARP10

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-6313344-B1 PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-11-06 US disclosed
EP-0984923-A1 O-BENZYL OXIME ETHERS AND THEIR USE AS PESTICIDES Novartis AG (CH) 2000-03-15 EP disclosed
WO-1998054125-A1 O-BENZYL OXIME ETHERS AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 1998-12-03 WO disclosed