SCHEMBL7601427

SCHEMBL7601427

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
NAMPT P43490 5/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
PKM P14618 1/20 0.37
NLRP1 Q9C000 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP1 P03956 3/20 0.36
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
MCL1 Q07820 1/20 0.36
GAA P10253 1/20 0.35
EGFR P00533 2/20 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
SCHEMBL8097649 0.90 LMNA (0.39) LMNAALDH1A1MAPTHTTPKM
SCHEMBL7602164 0.86 MTNR1B (0.39) MTNR1BPTGDR2NAMPTLMNAALDH1A1
SCHEMBL7598300 0.84 MTNR1B (0.48) MTNR1BPTGDR2LMNAALDH1A1MAPT
SCHEMBL7602552 0.82 MTNR1B (0.39) MTNR1BPTGDR2LMNAALDH1A1MAPT
SCHEMBL8106747 0.78 POLB (0.43) MTNR1BPTGDR2LMNAALDH1A1MAPT
SCHEMBL7602516 0.78 L3MBTL1 (0.37) MTNR1BPTGDR2LMNAALDH1A1L3MBTL1
SCHEMBL7599476 0.77 PTGDR2 (0.46) MTNR1BPTGDR2LMNAALDH1A1MAPT
SCHEMBL7598974 0.77 KMT2A (0.41) LMNAALDH1A1L3MBTL1TDP1SMN1; SMN2
SCHEMBL7601939 0.77 TDP1 (0.38) MTNR1BPTGDR2LMNAALDH1A1MAPT
SCHEMBL7601352 0.76 KMT2A (0.41) LMNAALDH1A1MAPTPKML3MBTL1

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