SCHEMBL8106747

SCHEMBL8106747

C=C(C)C(=O)OCCC(C=O)CC(=O)Nc1ccccc1Oc1cccc(S(=O)(=O)c2cccc(Oc3ccccc3NC(=O)CC(C=O)CCOC(=O)C(=C)C)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
MTNR1B P49286 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.36
ADRA2C P18825 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.34
RECQL P46063 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
SCHEMBL7597990 0.91 POLB (0.45) POLBMTNR1BADRA2CL3MBTL1ATM
SCHEMBL7602516 0.83 L3MBTL1 (0.37) POLBMTNR1BPTGDR2ADRA2CL3MBTL1
SCHEMBL7598300 0.81 MTNR1B (0.48) POLBMTNR1BPTGDR2ADRA2CL3MBTL1
SCHEMBL7602552 0.79 MTNR1B (0.39) POLBMTNR1BPTGDR2ADRA2CL3MBTL1
SCHEMBL7602164 0.79 MTNR1B (0.39) POLBMTNR1BPTGDR2ADRA2CL3MBTL1
SCHEMBL7601427 0.78 MTNR1B (0.40) POLBMTNR1BPTGDR2L3MBTL1ATM
SCHEMBL7601939 0.77 TDP1 (0.38) MTNR1BPTGDR2L3MBTL1LMNAALDH1A1
SCHEMBL7601959 0.76 PYGM (0.37) MTNR1BPTGDR2L3MBTL1ALDH1A1KDM4E
SCHEMBL7599476 0.75 PTGDR2 (0.46) POLBMTNR1BPTGDR2ADRA2CL3MBTL1
SCHEMBL7596376 0.74 POLB (0.47) POLBMTNR1BADRA2CL3MBTL1ATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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