SCHEMBL9841807

SCHEMBL9841807

N#Cc1ccc(COc2cc(CO)cc(OCc3ccccc3)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.69
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMPD1 P17405 1/20 0.50
EGLN2 Q96KS0 1/20 0.50
AR P10275 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 2/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
LTA4H P09960 1/20 0.48
EPHX2 P34913 1/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL28553906 0.94 MAOB (0.57) MAOBMEN1KMT2ASMPD1SMN1; SMN2
SCHEMBL4910012 0.86 MEN1 (0.62) MAOBMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL9841958 0.85 MAOB (0.69) MAOBMEN1KMT2ASMPD1EGLN2
SCHEMBL2735788 0.84 MAOB (0.76) MAOBMEN1KMT2AEGLN2AR
SCHEMBL14601810 0.84 MEN1 (0.61) MAOBMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL9842230 0.84 MAOB (0.71) MAOBMEN1KMT2ASMPD1EGLN2
SCHEMBL403151 0.82 MAOB (1.00) MAOBEGLN2ARSMN1; SMN2RAB9A
SCHEMBL8618909 0.82 MAOB (0.85) MAOBSMPD1ARSMN1; SMN2TSHR
SCHEMBL3271153 0.82 CYP4F2 (0.61) MAOBMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL214243 0.80 MAOB (0.65) MAOBMEN1KMT2AEGLN2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041516-A Macromolecules CORNELL RESEARCH FOUNDATION, INC. (US) 1991-08-20 US disclosed