SCHEMBL7598284

SCHEMBL7598284

C=Cc1ccccc1CC(=O)Nc1ccccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccccc3NC(=O)Cc3ccccc3C=C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
ALDH1A1 P00352 3/20 0.47
ADRA2C P18825 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
POLB P06746 2/20 0.43
MMP2 P08253 3/20 0.43
MMP9 P14780 3/20 0.43
MMP12 P39900 3/20 0.43
MMP1 P03956 2/20 0.43
MMP3 P08254 2/20 0.43
MMP8 P22894 2/20 0.43
MMP13 P45452 2/20 0.43
MMP14 P50281 2/20 0.43
MMP16 P51512 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL7597944 0.89 GAA (0.47) GAAALDH1A1ADRA2CL3MBTL1POLB
SCHEMBL7602651 0.83 GAA (0.52) GAAALDH1A1ADRA2CL3MBTL1POLB
SCHEMBL7602530 0.83 GAA (0.59) GAAALDH1A1ADRA2CL3MBTL1POLB
SCHEMBL7602716 0.82 ALDH1A1 (0.53) GAAALDH1A1ADRA2CL3MBTL1POLB
SCHEMBL7601793 0.82 ALDH1A1 (0.50) GAAALDH1A1ADRA2CL3MBTL1SMN1; SMN2
SCHEMBL7601066 0.82 ALDH1A1 (0.58) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL7601089 0.81 TDP1 (0.51) ALDH1A1ADRA2CL3MBTL1MMP2MMP9
SCHEMBL7599812 0.80 GAA (0.56) GAAALDH1A1ADRA2CL3MBTL1POLB
SCHEMBL7599804 0.80 PRMT1 (0.59) GAAALDH1A1MMP2MMP9MMP12
SCHEMBL7599801 0.78 CA1 (0.43) ALDH1A1POLBMMP2MMP9MMP12

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