SCHEMBL7597622

SCHEMBL7597622

C=C(C)C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(NC(=O)C(=C)C)c(O)c4)cc3)cc2)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.41
MAPT P10636 3/20 0.41
PKM P14618 2/20 0.41
HTT P42858 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 3/20 0.40
STK39 Q9UEW8 1/20 0.40
ELANE P08246 1/20 0.39
NPC1 O15118 2/20 0.39
APEX1 P27695 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL7597996 0.87 HTT (0.44) POLBMAPTPKMHTTL3MBTL1
SCHEMBL7598616 0.86 CA1 (0.45) POLBMAPTPKMHTTL3MBTL1
SCHEMBL7601856 0.85 ALDH1A1 (0.47) MAPTL3MBTL1GAASMN1; SMN2ALDH1A1
SCHEMBL7598975 0.85 NPC1 (0.44) POLBMAPTPKML3MBTL1TDP1
SCHEMBL7603741 0.81 PKM (0.50) POLBMAPTPKMHTTSMN1; SMN2
SCHEMBL7599277 0.80 TDP1 (0.52) POLBMAPTHTTL3MBTL1TDP1
SCHEMBL7601962 0.78 MAPT (0.45) POLBMAPTPKMHTTL3MBTL1
SCHEMBL22200960 0.76 POLB (0.49) POLBMAPTL3MBTL1TDP1GAA
SCHEMBL7598040 0.74 MTNR1B (0.51) HTTL3MBTL1TDP1CA12CA1
SCHEMBL7601061 0.74 NPC1 (0.44) POLBPKMHTTL3MBTL1TDP1

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