SCHEMBL2844085

SCHEMBL2844085

CC1CCN(C(c2ccc(F)cc2)c2ccc(CO[Si](C)(C)C(C)(C)C)cc2O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 3/20 0.44
P4HB P07237 11/20 0.44
MAPT P10636 2/20 0.43
KDM4D Q6B0I6 2/20 0.43
KCNH2 Q12809 2/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP19A1 P11511 1/20 0.35
MIF P14174 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
SCHEMBL2849631 0.83 KCNH2 (0.42) P4HBMAPTKDM4DKCNH2PTGS1
SCHEMBL2849965 0.70 KDM4D (0.45) SMAD3P4HBMAPTKDM4DKCNH2
SCHEMBL16225988 0.69 ACHE (0.51) MAPTKCNH2PTGS1PTGS2PSEN1
SCHEMBL1121365 0.68 CYP4F2 (0.39) MIF
SCHEMBL1121430 0.67 IDO1 (0.50) MAPTMEN1KMT2A
SCHEMBL2844400 0.67 KCNH2 (0.72) P4HBMAPTKCNH2PTGS1PTGS2
SCHEMBL31076387 0.66 USP2 (0.42) MAPTMEN1ALDH1A1TSHRKMT2A
SCHEMBL2842842 0.66 P4HB (0.54) SMAD3P4HBALDH1A1
SCHEMBL31076389 0.66 ALDH1A1 (0.36) MAPTMEN1ALDH1A1KMT2A
SCHEMBL31371309 0.64 CYP4F2 (0.40) PTGS1TSHR

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
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed