SCHEMBL7597990

SCHEMBL7597990

C=C(C)C(=O)OCCC(C=O)CC(=O)Nc1ccccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccccc3NC(=O)CC(C=O)CCOC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
ALDH1A1 P00352 3/20 0.38
ADRA2C P18825 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 4/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.35
CYP19A1 P11511 1/20 0.35
MTNR1B P49286 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 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
SCHEMBL8106747 0.91 POLB (0.43) POLBALDH1A1ADRA2CL3MBTL1ATM
SCHEMBL7596376 0.84 POLB (0.47) POLBALDH1A1ADRA2CL3MBTL1ATM
SCHEMBL8111065 0.84 POLB (0.49) POLBALDH1A1ADRA2CL3MBTL1ATM
SCHEMBL7602558 0.83 POLB (0.46) POLBALDH1A1ADRA2CL3MBTL1ATM
SCHEMBL7599021 0.82 POLB (0.45) POLBALDH1A1ADRA2CL3MBTL1ATM
SCHEMBL7602536 0.82 L3MBTL1 (0.39) POLBALDH1A1ADRA2CL3MBTL1ATM
SCHEMBL7602577 0.81 POLB (0.46) POLBALDH1A1ADRA2CL3MBTL1ATM
SCHEMBL7597987 0.78 L3MBTL1 (0.36) POLBALDH1A1ADRA2CL3MBTL1ATM
SCHEMBL8105519 0.78 KMT2A (0.40) POLBALDH1A1ADRA2CL3MBTL1ATM
SCHEMBL7598974 0.77 KMT2A (0.41) POLBALDH1A1ADRA2CL3MBTL1ATM

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