SCHEMBL4538810

SCHEMBL4538810

OCCN(CCO)c1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP8 P40818 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
MCL1 Q07820 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL1355919 0.87 KMT2A (0.35) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL26911777 0.80 HRH3 (0.39) KMT2AMAPTMEN1SMN1; SMN2ATM
SCHEMBL6243535 0.80 MAPT (0.44) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL28924489 0.79 ESR1 (0.48) KMT2AMAPTMEN1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL8038931 0.78 MAPT (0.43) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL11319607 0.77 MAPT (0.39) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL3039791 0.76 KMT2A (0.41) KMT2AMAPTMEN1TDP1ALDH1A1
SCHEMBL27685447 0.75 ALDH1A1 (0.50) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL1353696 0.75
SCHEMBL7153625 0.73 ALDH1A1 (0.48) KMT2AMAPTMEN1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638077-A1 NOVEL POLYMERIC PHOTOINITIATORS Coloplast A/S (DK) 2013-09-18 EP claimed
EP-2638078-A1 NEW ROUTES TO POLYACRYLATES Coloplast A/S (DK) 2013-09-18 EP claimed
WO-2012062333-A1 NOVEL POLYMERIC PHOTOINITIATORS COLOPLAST A/S (DK) 2012-05-18 WO claimed
WO-2012062334-A1 NEW ROUTES TO POLYACRYLATES COLOPLAST A/S (DK) 2012-05-18 WO claimed
EP-2638078-A1 NEW ROUTES TO POLYACRYLATES Coloplast A/S (DK) 2013-09-18 EP disclosed
WO-2012062334-A1 NEW ROUTES TO POLYACRYLATES COLOPLAST A/S (DK) 2012-05-18 WO disclosed