SCHEMBL4437074

SCHEMBL4437074

CC(Cc1ccc(OCC2CO2)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 4/20 0.49
TP53 P04637 3/20 0.49
TSHR P16473 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
HIF1A Q16665 2/20 0.49
PPARG P37231 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
GLA P06280 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
BCHE P06276 1/20 0.42
GRM2 Q14416 2/20 0.42

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
SCHEMBL4437068 0.94 TDP1 (0.59) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL131373 0.93 ALDH1A1 (0.53) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL10691467 0.86 ESR1 (0.58) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL28865920 0.84 ALDH1A1 (0.58) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL6757523 0.84 KMT2A (0.45) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL28729189 0.83 TDP1 (0.59) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL3148179 0.82 TDP1 (0.67) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL4365824 0.82 ALDH1A1 (0.57) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL8687409 0.81 TDP1 (0.65) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL7789081 0.81 TDP1 (0.59) TDP1MEN1KMT2AALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137193-A2 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF Sanofi-Aventis (FR) 2009-12-30 EP disclosed
WO-2008112483-A2 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2008-09-18 WO disclosed