SCHEMBL525876

SCHEMBL525876

CC(Cc1ccc2c(c1)CCN2C(CC(=O)O)Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
IDO1 P14902 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 4/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
CTSL P07711 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL12505328 0.86 LMNA (0.33) TP53LMNAIDO1HSD17B10POLB
SCHEMBL12505323 0.84 POLB (0.32) TP53LMNAIDO1TSHRHSD17B10
SCHEMBL525874 0.79 CTSL (0.44) TP53LMNATSHRCTSL
SCHEMBL526098 0.77 MAPT (0.40) TP53LMNAIDO1TSHRPOLB
SCHEMBL525875 0.73 MAPT (0.46) TP53LMNAHSD17B10POLBMAPT
SCHEMBL2548785 0.71 SCN1A (0.40) TP53LMNATSHRHSD17B10MAPT
SCHEMBL3289735 0.71 CPA1 (0.49) TP53MEN1KMT2A
SCHEMBL11036512 0.71 CPA1 (0.49) TP53MEN1KMT2A
SCHEMBL18902665 0.70 EPHX2 (0.41) TP53LMNAHSD17B10MAPTMEN1
SCHEMBL12817652 0.70 MAPT (0.39) TP53LMNAIDO1HSD17B10POLB

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-2012014186-A1 PROCESS FOR THE PREPARATION OF SILODOSIN AND ITS NOVEL INTERMEDIATES RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed