SCHEMBL7602722

SCHEMBL7602722

C=C(C)C(=O)OCCc1ccc(C(=O)Nc2ccccc2Oc2ccc(S(=O)(=O)c3ccc(Oc4ccccc4NC(=O)c4ccc(CCOC(=O)C(=C)C)c(OC)c4C=O)cc3)cc2)c(C=O)c1OC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
PYGM P11217 3/20 0.35
PYGL P06737 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CACNA1H O95180 1/20 0.34
CACNA1B Q00975 1/20 0.34
UBE2N P61088 1/20 0.33

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
SCHEMBL7602221 0.90 PYGM (0.36) RAB9AKMT2AMEN1PYGMPYGL
SCHEMBL7603516 0.90 CACNA1H (0.36) RAB9AKMT2AMEN1PYGMPYGL
SCHEMBL7601200 0.90 TDP1 (0.36) RAB9AKMT2AMEN1PYGMPYGL
SCHEMBL7601975 0.89 TDP1 (0.39) RAB9AKMT2AMEN1PYGMPYGL
SCHEMBL8105309 0.83 SMN1; SMN2 (0.40) RAB9AKMT2AMEN1PYGMPYGL
SCHEMBL7602542 0.82 MAPT (0.38) RAB9AKMT2AMEN1PYGMPYGL
SCHEMBL7601939 0.81 TDP1 (0.38) RAB9AKMT2AMEN1PYGMPYGL
SCHEMBL7607368 0.80 PYGM (0.37) RAB9AKMT2AMEN1PYGMPYGL
SCHEMBL7598963 0.75 ALDH1A1 (0.40) RAB9AKMT2AMEN1PYGMPYGL
SCHEMBL8105519 0.75 KMT2A (0.40) KMT2AMEN1ALDH1A1MAPTKDM4E

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