SCHEMBL7607368

SCHEMBL7607368

C=C(C)C(=O)OCCc1cc(C)cc(C(=O)Nc2ccccc2Oc2ccc(S(=O)(=O)c3ccc(Oc4ccccc4NC(=O)c4cc(C)cc(CCOC(=O)C(=C)C)c4C)cc3)cc2)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGM P11217 5/20 0.37
MRGPRX1 Q96LB2 2/20 0.37
PYGL P06737 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
CACNA1H O95180 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CACNA1B Q00975 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7598003 0.92 ALDH1A1 (0.40) PYGMMRGPRX1PYGLTDP1ALDH1A1
SCHEMBL8105309 0.87 SMN1; SMN2 (0.40) PYGMPYGLTDP1ALDH1A1L3MBTL1
SCHEMBL7603516 0.85 CACNA1H (0.36) PYGMPYGLTDP1ALDH1A1L3MBTL1
SCHEMBL7600016 0.84 MRGPRX1 (0.36) MRGPRX1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL7601975 0.83 TDP1 (0.39) PYGMPYGLTDP1ALDH1A1L3MBTL1
SCHEMBL7602221 0.82 PYGM (0.36) PYGMPYGLTDP1ALDH1A1L3MBTL1
SCHEMBL7601200 0.81 TDP1 (0.36) PYGMPYGLTDP1ALDH1A1L3MBTL1
SCHEMBL7598963 0.81 ALDH1A1 (0.40) PYGMPYGLTDP1ALDH1A1L3MBTL1
SCHEMBL7602722 0.80 RAB9A (0.39) PYGMPYGLTDP1ALDH1A1L3MBTL1
SCHEMBL7602542 0.80 MAPT (0.38) PYGMPYGLTDP1ALDH1A1L3MBTL1

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