SCHEMBL7598003

SCHEMBL7598003

C=C(C)C(=O)OCCc1cc(C)cc(C(=O)Nc2ccccc2Oc2cccc(S(=O)(=O)c3cccc(Oc4ccccc4NC(=O)c4cc(C)cc(CCOC(=O)C(=C)C)c4C)c3)c2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PYGM P11217 3/20 0.37
MRGPRX1 Q96LB2 2/20 0.37
RAB9A P51151 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MTNR1B P49286 1/20 0.36
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.35
PYGL P06737 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL7607368 0.92 PYGM (0.37) ALDH1A1TDP1L3MBTL1PYGMMRGPRX1
SCHEMBL7598963 0.88 ALDH1A1 (0.40) ALDH1A1TDP1L3MBTL1PYGMRAB9A
SCHEMBL7601939 0.86 TDP1 (0.38) ALDH1A1TDP1L3MBTL1PYGMRAB9A
SCHEMBL7600016 0.83 MRGPRX1 (0.36) ALDH1A1L3MBTL1MRGPRX1LMNAPOLB
SCHEMBL7601959 0.81 PYGM (0.37) ALDH1A1TDP1L3MBTL1PYGMRAB9A
SCHEMBL8105309 0.80 SMN1; SMN2 (0.40) ALDH1A1TDP1L3MBTL1PYGMRAB9A
SCHEMBL7603516 0.78 CACNA1H (0.36) ALDH1A1TDP1L3MBTL1PYGMRAB9A
SCHEMBL7601975 0.77 TDP1 (0.39) ALDH1A1TDP1L3MBTL1PYGMRAB9A
SCHEMBL7598300 0.77 MTNR1B (0.48) ALDH1A1TDP1L3MBTL1PTGDR2MTNR1B
SCHEMBL7602164 0.76 MTNR1B (0.39) ALDH1A1TDP1L3MBTL1PYGMPTGDR2

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