SCHEMBL526098

SCHEMBL526098

O=Cc1ccc2c(c1)CCN2C(CC(=O)O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HDAC8 Q9BY41 1/20 0.38
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CPA1 P15085 2/20 0.37
CPB1 P15086 1/20 0.37
CPA3 P15088 1/20 0.37
CPB2 Q96IY4 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
IDO1 P14902 1/20 0.35
HTT P42858 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
SCHEMBL525876 0.77 TP53 (0.38) MAPTMEN1KMT2ATSHRLMNA
SCHEMBL526096 0.77 CYP1A2 (0.43) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL3218987 0.72 HPGD (0.48) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL12194132 0.69 HPGD (0.64) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL8778013 0.68 MEN1 (0.47) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL1461837 0.68 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL526097 0.68 NOTUM (0.49) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL12194134 0.67 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL10625512 0.67 ALDH1A1 (0.58) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL8126677 0.66 POLB (0.58) MAPTALDH1A1MEN1KMT2AGAA

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