SCHEMBL14948102

SCHEMBL14948102

CN(C)c1ccc(C(OC(C)(C)C)(c2ccc(OCCO)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 12/20 0.51
CYP3A4 P08684 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
MCL1 Q07820 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGES O14684 1/20 0.41
HDAC1 Q13547 1/20 0.41
NR1I2 O75469 1/20 0.40
RECQL P46063 1/20 0.39
SLC2A1 P11166 1/20 0.39
CHKA P35790 1/20 0.38

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
SCHEMBL14950986 0.85 APP (0.54) APPCYP3A4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12646538 0.83 APP (0.68) APPCYP3A4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL14948220 0.78 APP (0.56) APPCYP3A4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL595602 0.74 APP (0.61) APPALDH1A1KDM4EMAPTTSHR
SCHEMBL14948221 0.74 SLC2A1 (0.59) APPCYP3A4ALDH1A1KDM4EMAPT
SCHEMBL1309989 0.73 GAA (0.66) APPCYP3A4ALDH1A1KDM4EMAPT
SCHEMBL270793 0.72 SMN1; SMN2 (0.68) APPCYP3A4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9818198 0.72 SMN1; SMN2 (0.68) CYP3A4SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL4254052 0.72 SMN1; SMN2 (0.68) CYP3A4SMN1; SMN2ALDH1A1KDM4ENR1I2
SCHEMBL79031 0.72 SMN1; SMN2 (0.68) CYP3A4SMN1; SMN2ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210063411-A1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MED SYST INC (US) 2021-03-04 US disclosed
US-10883999-B2 Detecting targets using mass tags and mass spectrometry VENTANA MEDICAL SYSTEMS, INC. (US) 2021-01-05 US disclosed
US-20190004061-A1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MED SYST INC (US) 2019-01-03 US disclosed
US-20160139143-A1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MEDICAL SYSTEMS, INC. 2016-05-19 US disclosed
US-9291597-B2 Detecting targets using mass tags and mass spectrometry VENTANA MEDICAL SYSTEMS, INC. (US) 2016-03-22 US disclosed
US-20130122516-A1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MEDICAL SYSTEMS, INC. 2013-05-16 US disclosed