SCHEMBL7601359

SCHEMBL7601359

C=C(C)C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C(=C)C)c(OC)c2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 3/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
EPHX1 P07099 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 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
SCHEMBL7601856 0.87 ALDH1A1 (0.47) ALDH1A1KMT2ASMN1; SMN2GAALMNA
SCHEMBL7598975 0.81 NPC1 (0.44) POLBALDH1A1PKMGAALMNA
SCHEMBL7601061 0.81 NPC1 (0.44) POLBALDH1A1KMT2APKMHTT
SCHEMBL7600760 0.79 CA1 (0.56) POLBLMNA
SCHEMBL14431108 0.79 CA1 (0.39) POLBMAPK1ALDH1A1KMT2AHTT
SCHEMBL8477021 0.75 POLB (0.63) POLBMAPK1ALDH1A1KMT2APKM
SCHEMBL7601962 0.74 MAPT (0.45) POLBALDH1A1KMT2APKMHTT
SCHEMBL7599476 0.74 PTGDR2 (0.46) POLBALDH1A1PKMGAALMNA
SCHEMBL20656507 0.74 ALDH1A1 (0.56) MAPK1ALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL29553355 0.74 ALDH1A1 (0.56) MAPK1ALDH1A1KMT2AHTTSMN1; SMN2

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