SCHEMBL7036744

SCHEMBL7036744

O=Cc1cc2cccc(C=O)c2cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2A6 P11509 1/20 0.44
ERN1 O75460 7/20 0.43
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
MITF O75030 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
CCR6 P51684 1/20 0.37

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
SCHEMBL1817898 0.88 MEN1 (0.48) MEN1KMT2ALMNATHRBBLM
SCHEMBL29392367 0.84 ALDH1A1 (0.50) MEN1KMT2ALMNATHRBBLM
SCHEMBL39718 0.84 ALDH1A1 (0.50) MEN1KMT2ALMNATHRBBLM
SCHEMBL30446471 0.83 ALDH1A1 (0.49) MEN1KMT2ALMNATHRBBLM
SCHEMBL548781 0.83 ALDH1A1 (0.49) MEN1KMT2ALMNATHRBBLM
SCHEMBL31340003 0.83 ALDH1A1 (0.49) MEN1KMT2ALMNATHRBBLM
SCHEMBL548710 0.83 ALDH1A1 (0.49) MEN1KMT2ALMNATHRBBLM
SCHEMBL11903615 0.81 ERN1 (0.50) MEN1KMT2ALMNATHRBBLM
SCHEMBL5748981 0.79 ALDH1A1 (0.43) MEN1KMT2ALMNATHRBBLM
Methyl Alcohol SCHEMBL27597852 0.79 ALDH1A1 (0.46) MEN1KMT2ALMNATHRBBLM

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-0654488-B2 Tapered block copolymers of monovinylarenes and conjugated dienes PHILLIPS PETROLEUM CO (US) 2003-03-19 EP disclosed
EP-0654488-B1 Tapered block copolymers of monovinylarenes and conjugated dienes PHILLIPS PETROLEUM CO (US) 1999-01-13 EP disclosed