SCHEMBL7601959

SCHEMBL7601959

C=C(C)C(=O)OCCc1ccc(C(=O)Nc2ccccc2Oc2cccc(S(=O)(=O)c3cccc(Oc4ccccc4NC(=O)c4ccc(CCOC(=O)C(=C)C)cc4C=O)c3)c2)c(C=O)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYGM P11217 6/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
PYGL P06737 5/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 1/20 0.35
MTNR1B P49286 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7602542 0.92 MAPT (0.38) PYGMTDP1L3MBTL1PYGLALDH1A1
SCHEMBL7601939 0.85 TDP1 (0.38) PYGMTDP1L3MBTL1PTGDR2PYGL
SCHEMBL7598003 0.81 ALDH1A1 (0.40) PYGMTDP1L3MBTL1PTGDR2PYGL
SCHEMBL7598963 0.81 ALDH1A1 (0.40) PYGMTDP1L3MBTL1PTGDR2PYGL
SCHEMBL7602593 0.78 AKR1B10 (0.35) L3MBTL1MAPK1MAPTKMT2A
SCHEMBL7602164 0.78 MTNR1B (0.39) PYGMTDP1L3MBTL1PTGDR2ALDH1A1
SCHEMBL7601975 0.77 TDP1 (0.39) PYGMTDP1L3MBTL1PYGLALDH1A1
SCHEMBL7602552 0.76 MTNR1B (0.39) PYGMTDP1L3MBTL1PTGDR2ALDH1A1
SCHEMBL7602221 0.76 PYGM (0.36) PYGMTDP1L3MBTL1PYGLALDH1A1
SCHEMBL7603516 0.76 CACNA1H (0.36) PYGMTDP1L3MBTL1PYGLALDH1A1

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