SCHEMBL2230565

SCHEMBL2230565

CCc1cccc2c1C(C(=O)[O-])c1ccccc1O2.CCc1cccc2c1C(C(=O)[O-])c1ccccc1O2.CCc1cccc2c1C(C(=O)[O-])c1ccccc1O2.[In+3]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
KMT2A Q03164 7/20 0.51
MEN1 O00255 5/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ATM Q13315 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
Potassium Ion SCHEMBL4430077 0.97 HTT (0.54) HTTKMT2AMEN1USP2TSHR
SCHEMBL8507081 0.97 HTT (0.54) HTTKMT2AMEN1USP2TSHR
SCHEMBL8506452 0.97 HTT (0.54) HTTKMT2AMEN1USP2TSHR
SCHEMBL10581958 0.88 KMT2A (0.49) HTTKMT2AMEN1USP2TSHR
Potassium Ion SCHEMBL185379 0.86 KMT2A (0.50) HTTKMT2AMEN1USP2TSHR
SCHEMBL11383001 0.84 L3MBTL1 (0.45) HTTKMT2AMEN1USP2TSHR
Potassium Ion SCHEMBL10978421 0.84 L3MBTL1 (0.45) HTTKMT2AMEN1USP2TSHR
Potassium Ion SCHEMBL184556 0.84 KMT2A (0.50) HTTKMT2AMEN1USP2TSHR
Bromomethane SCHEMBL15709778 0.80 HTT (0.51) HTTKMT2AMEN1USP2TSHR
Potassium Ion SCHEMBL10978488 0.80 HTT (0.52) HTTKMT2AMEN1USP2TSHR

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-2011085425-A1 SOLUTIONS FOR THE PRODUCTION OF HOMOGENEOUS LARGE-AREA PHOTOACTIVE LAYERS CONSISTING OF AN ELECTROACTIVE POLYMER AND SEMICONDUCTOR NANOPARTICLES AND USE THEREOF IN PHOTOVOLTAICS AND OPTOELECTRONICS ISOVOLTAIC AG (AT) 2011-07-21 WO disclosed