SCHEMBL7602164

SCHEMBL7602164

C=C(C)C(=O)OCC/C(C=O)=C\C(=O)Nc1ccccc1Oc1cccc(S(=O)(=O)c2cccc(Oc3ccccc3NC(=O)/C=C(/C=O)CCOC(=O)C(=C)C)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 2/20 0.35
ATM Q13315 1/20 0.35
PYGM P11217 2/20 0.34
ALDH1A1 P00352 1/20 0.34
FGFR4 P22455 1/20 0.33
LMNA P02545 2/20 0.33
NAMPT P43490 1/20 0.33
ADRA2C P18825 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL8105519 0.90 KMT2A (0.40) KMT2AL3MBTL1TDP1POLBATM
SCHEMBL7601427 0.86 MTNR1B (0.40) MTNR1BPTGDR2KMT2AL3MBTL1TDP1
SCHEMBL7602552 0.83 MTNR1B (0.39) MTNR1BPTGDR2L3MBTL1TDP1POLB
SCHEMBL7598300 0.82 MTNR1B (0.48) MTNR1BPTGDR2L3MBTL1TDP1POLB
SCHEMBL7598974 0.79 KMT2A (0.41) KMT2AL3MBTL1TDP1POLBATM
SCHEMBL7601939 0.79 TDP1 (0.38) MTNR1BPTGDR2KMT2AL3MBTL1TDP1
SCHEMBL8106747 0.79 POLB (0.43) MTNR1BPTGDR2L3MBTL1POLBATM
SCHEMBL7602516 0.79 L3MBTL1 (0.37) MTNR1BPTGDR2KMT2AL3MBTL1TDP1
SCHEMBL7601352 0.79 KMT2A (0.41) KMT2AL3MBTL1TDP1POLBATM
SCHEMBL7597627 0.78 KMT2A (0.40) MTNR1BKMT2AL3MBTL1TDP1POLB

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