SCHEMBL7599476

SCHEMBL7599476

C=C(C)C(=O)Nc1ccccc1Oc1cccc(S(=O)(=O)c2cccc(Oc3ccccc3NC(=O)C(=C)C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.46
MTNR1B P49286 1/20 0.46
MAPT P10636 1/20 0.45
PYGM P11217 2/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
ADRA2C P18825 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 3/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL7601962 0.86 MAPT (0.45) MAPTL3MBTL1POLBLMNAADRA2C
SCHEMBL7601156 0.84 TDP1 (0.54) MTNR1BMAPTPOLBLMNAALDH1A1
SCHEMBL7598040 0.80 MTNR1B (0.51) MTNR1BL3MBTL1TDP1CA12CA1
SCHEMBL7602552 0.80 MTNR1B (0.39) PTGDR2MTNR1BMAPTPYGML3MBTL1
SCHEMBL7598300 0.79 MTNR1B (0.48) PTGDR2MTNR1BMAPTL3MBTL1POLB
SCHEMBL7601427 0.77 MTNR1B (0.40) PTGDR2MTNR1BMAPTL3MBTL1POLB
SCHEMBL7600768 0.76 F10 (0.48) PTGDR2MAPTPYGML3MBTL1LMNA
SCHEMBL7601098 0.76 TDP1 (0.48) PTGDR2MTNR1BMAPTPYGML3MBTL1
SCHEMBL7602164 0.76 MTNR1B (0.39) PTGDR2MTNR1BPYGML3MBTL1POLB
SCHEMBL8106747 0.75 POLB (0.43) PTGDR2MTNR1BMAPTL3MBTL1POLB

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