SCHEMBL7599277

SCHEMBL7599277

C=C(C)C(=O)Nc1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(NC(=O)C(=C)C)c4)cc3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
HTT P42858 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
MITF O75030 1/20 0.45
POLB P06746 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
IDH1 O75874 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.43

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
SCHEMBL7601156 0.91 TDP1 (0.54) TDP1HTTCA12CA1CA2
SCHEMBL7598040 0.87 MTNR1B (0.51) TDP1HTTL3MBTL1CA12CA1
SCHEMBL7603741 0.86 PKM (0.50) HTTCA12CA1CA2CA9
SCHEMBL7597973 0.81 TDP1 (0.64) TDP1HTTL3MBTL1CA12CA1
SCHEMBL7597622 0.80 POLB (0.41) TDP1HTTL3MBTL1CA12CA1
SCHEMBL7597996 0.80 HTT (0.44) TDP1HTTL3MBTL1CA12CA1
SCHEMBL7598616 0.79 CA1 (0.45) TDP1HTTL3MBTL1CA12CA1
SCHEMBL7601962 0.78 MAPT (0.45) TDP1HTTL3MBTL1CA12CA1
SCHEMBL8472237 0.78 TDP1 (0.64) TDP1HTTL3MBTL1ALDH1A1MTNR1A
SCHEMBL9862367 0.78 HTT (0.60) TDP1HTTL3MBTL1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11130744-A None JP disclosed
EP-0913713-B1 Crosslinkable compound and an optical material employing it MENICON CO LTD (JP) 2002-12-18 EP disclosed
US-6015874-A CURING AGENT FOR HYDROPHILIC, TRANSPARENT, DURABLE POLYMERIC CONTACT OR INTRAOCULAR LENSES WHICH ALSO ABSORB ULTRA VIOLET RADIATION AND ARE OXYGEN PERMEABLE MENICON CO., LTD. (JP) 2000-01-18 US disclosed
JP-H11130744-A CROSSLINKABKE COMPOUND AND OPTICAL MATERIAL USING THE SAME MENICON CO LTD 1999-05-18 JP disclosed
EP-0913713-A2 Crosslinkable compound and an optical material employing it Menicon Co., Ltd. (JP) 1999-05-06 EP disclosed