SCHEMBL7597944

SCHEMBL7597944

C=Cc1ccccc1CC(=O)Nc1ccccc1Oc1cccc(S(=O)(=O)c2cccc(Oc3ccccc3NC(=O)Cc3ccccc3C=C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.44
MTNR1B P49286 1/20 0.44
ADRA2C P18825 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 2/20 0.41
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39
P2RX4 Q99571 4/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7598284 0.89 GAA (0.50) GAAADRA2CALDH1A1L3MBTL1POLB
SCHEMBL7599022 0.84 GAA (0.56) GAAPTGDR2MTNR1BADRA2CALDH1A1
SCHEMBL7601893 0.83 GAA (0.55) GAAPTGDR2MTNR1BADRA2CALDH1A1
SCHEMBL7601098 0.82 TDP1 (0.48) PTGDR2MTNR1BALDH1A1L3MBTL1ATM
SCHEMBL7600768 0.76 F10 (0.48) GAAPTGDR2ALDH1A1L3MBTL1TDP1
SCHEMBL7599801 0.75 CA1 (0.43) ALDH1A1POLBKDM4ETSHRMAPT
SCHEMBL7601858 0.75 MAPT (0.49) PTGDR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL7602651 0.75 GAA (0.52) GAAPTGDR2ADRA2CALDH1A1L3MBTL1
SCHEMBL7599476 0.74 PTGDR2 (0.46) GAAPTGDR2MTNR1BADRA2CALDH1A1
SCHEMBL7599812 0.73 GAA (0.56) GAAPTGDR2MTNR1BADRA2CALDH1A1

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