SCHEMBL4353113

SCHEMBL4353113

O=C(O)c1ccc(C(Cl)C(Cl)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
DAO P14920 1/20 0.54
NAPRT Q6XQN6 1/20 0.54
TP53 P04637 1/20 0.52
SRD5A2 P31213 5/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
OPRD1 P41143 1/20 0.49
ALOX15 P16050 1/20 0.48
TRPA1 O75762 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ANPEP P15144 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
CA12 O43570 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
SCHEMBL1552114 0.82 HDAC1 (0.64) TSHRDAONAPRTTP53SRD5A2
SCHEMBL22472195 0.82 TSHR (0.59) TSHRDAONAPRTTP53SRD5A2
SCHEMBL15543858 0.81 TSHR (0.50) TSHRDAONAPRTTP53SRD5A2
SCHEMBL5510121 0.80 SRD5A2 (0.72) TSHRDAONAPRTTP53SRD5A2
SCHEMBL11606719 0.80 TSHR (0.56) TSHRDAONAPRTTP53SRD5A2
SCHEMBL8154043 0.79 TSHR (0.60) TSHRDAONAPRTTP53SRD5A2
SCHEMBL7133356 0.79 TSHR (0.60) TSHRDAONAPRTTP53SRD5A2
Benzoic Acid SCHEMBL27553350 0.79 TSHR (0.78) TSHRDAONAPRTTP53SRD5A2
SCHEMBL16562179 0.78 ANPEP (0.55) TSHRDAONAPRTTP53SRD5A2
SCHEMBL16562177 0.78 ANPEP (0.55) TSHRDAONAPRTTP53SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457511-B1 CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME MITSUI CHEMICALS INC (JP) 2009-07-15 EP disclosed
US-7345135-B2 Crosslinkable aromatic resin having protonic acid group, and ion conductive polymer membrane, binder and fuel cell using the resin MITSUI CHEMICALS, INC. (JP) 2008-03-18 US disclosed
US-20040191602-A1 Crosslinkable aromatic resin having protonic acid group, and ion conductive polymer membrane, binder and fuel cell using the resin MITSUI CHEMICALS, INC. (JP) 2004-09-30 US disclosed
EP-1457511-A1 CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-09-15 EP disclosed