SCHEMBL7601156

SCHEMBL7601156

C=C(C)C(=O)Nc1cccc(Oc2cccc(S(=O)(=O)c3cccc(Oc4cccc(NC(=O)C(=C)C)c4)c3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
MTNR1B P49286 2/20 0.44
MAPK1 P28482 2/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PIP4K2A P48426 1/20 0.42
PIP4K2B P78356 1/20 0.42

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
SCHEMBL7599277 0.91 TDP1 (0.52) TDP1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7598040 0.91 MTNR1B (0.51) TDP1HTTMTNR1BCA12CA1
SCHEMBL7597973 0.87 TDP1 (0.64) TDP1LMNASMN1; SMN2HTTHPGD
SCHEMBL7599476 0.84 PTGDR2 (0.46) TDP1LMNAGAAMTNR1BALDH1A1
SCHEMBL8472237 0.79 TDP1 (0.64) TDP1SMN1; SMN2KMT2AHTTHPGD
SCHEMBL1811660 0.77 TDP1 (0.62) TDP1LMNASMN1; SMN2HTTHPGD
SCHEMBL7603741 0.76 PKM (0.50) LMNASMN1; SMN2KMT2AHTTMAPK1
SCHEMBL17084526 0.76 TDP1 (0.60) TDP1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL396033 0.76 CA1 (0.61) TDP1POLBCA12CA1CA2
SCHEMBL1098272 0.76 TDP1 (0.79) TDP1ALDH1A1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0913713-A2 Crosslinkable compound and an optical material employing it Menicon Co., Ltd. (JP) 1999-05-06 EP disclosed