SCHEMBL3685151

SCHEMBL3685151

COC(=O)CCc1cc2c(cc1O)Oc1cc(O)c(CCC(=O)OC)cc1C21OC(=O)c2ccc(C(=O)O)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
FTO Q9C0B1 8/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
SMAD3 P84022 1/20 0.38
PRMT1 Q99873 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
GSTP1 P09211 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL3685707 0.92 FTO (0.43) MEN1MAPTHTTKMT2AUSP2
SCHEMBL2859711 0.90 FTO (0.42) MEN1MAPTHTTKMT2AUSP2
SCHEMBL31091444 0.86 FTO (0.44) MEN1MAPTHTTKMT2AUSP2
SCHEMBL4318993 0.85 FTO (0.43) MEN1MAPTHTTKMT2AUSP2
SCHEMBL29358306 0.82 FTO (0.42) MEN1MAPTHTTKMT2AUSP2
SCHEMBL29358769 0.81 FTO (0.45) MEN1MAPTHTTKMT2AUSP2
SCHEMBL7610486 0.81 HTT (0.46) MEN1MAPTHTTKMT2AUSP2
SCHEMBL3146789 0.81 FTO (0.45) MEN1MAPTHTTKMT2AUSP2
SCHEMBL3688701 0.80 MAPT (0.39) MEN1MAPTHTTKMT2AUSP2
SCHEMBL3656489 0.80 FTO (0.44) MEN1MAPTHTTKMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181113-B1 METHOD FOR THE PREPARATION of POLYCARBOXYLATE PHTALEINS USED AS FLUORESCENT DYES SYNTH INNOVE LAB (FR) 2015-11-18 EP disclosed
EP-2181113-A1 POLYCARBOXYLATE PHTALEINS USED AS FLUORESCENT DYES AND A METHOD FOR THE PREPARATION THEREOF Laboratoires Synth-Innove (FR) 2010-05-05 EP disclosed
WO-2009027604-A1 POLYCARBOXYLATE PHTALEINS USED AS FLUORESCENT DYES AND A METHOD FOR THE PREPARATION THEREOF LABORATOIRES SYNTH-INNOVE (FR) 2009-03-05 WO disclosed