SCHEMBL3327239

SCHEMBL3327239

CCC(=Cc1cc(Br)ccc1OC)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.51
KDM4E B2RXH2 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 6/20 0.51
TNFRSF1A P19438 1/20 0.47
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOB P27338 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL3327232 1.00 MAPT (0.51) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL2690714 0.84 PPARG (0.50) MAPTKDM4ELMNAHTTKMT2A
SCHEMBL29279528 0.81 PRKDC (0.42) MAPTSMN1; SMN2ALDH1A1LMNATNFRSF1A
SCHEMBL27002115 0.81 PRKDC (0.42) MAPTSMN1; SMN2ALDH1A1LMNATNFRSF1A
SCHEMBL2537055 0.81 ERN1 (0.50) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL7825925 0.79 KMT2A (0.61) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL7825926 0.79 KMT2A (0.61) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL8143973 0.78 MAPT (0.43) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL2541217 0.77 PSEN1 (0.52) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL2389154 0.77 PSEN1 (0.51) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA

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-20100119424-A1 CATALYST ALMQUEST AB (SE) 2010-05-13 US disclosed