SCHEMBL7601975

SCHEMBL7601975

C=C(C)C(=O)OCCc1cccc(C(=O)Nc2ccccc2Oc2ccc(S(=O)(=O)c3ccc(Oc4ccccc4NC(=O)c4cccc(CCOC(=O)C(=C)C)c4C=O)cc3)cc2)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CACNA1H O95180 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CACNA1B Q00975 2/20 0.35
PYGM P11217 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
PYGL P06737 2/20 0.35
HSD17B10 Q99714 1/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL7601939 0.92 TDP1 (0.38) TDP1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL7602221 0.90 PYGM (0.36) TDP1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL7603516 0.90 CACNA1H (0.36) TDP1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL7601200 0.89 TDP1 (0.36) TDP1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL7602722 0.89 RAB9A (0.39) TDP1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL8105309 0.84 SMN1; SMN2 (0.40) TDP1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL7602542 0.83 MAPT (0.38) TDP1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL7607368 0.83 PYGM (0.37) TDP1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL7598003 0.77 ALDH1A1 (0.40) TDP1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL7598963 0.77 ALDH1A1 (0.40) TDP1RAB9AL3MBTL1KMT2AMEN1

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