SCHEMBL8097649

SCHEMBL8097649

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
NLRP1 Q9C000 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 2/20 0.38
ATM Q13315 1/20 0.38
MCL1 Q07820 1/20 0.38
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CACNA1H O95180 4/20 0.37
CACNA1B Q00975 3/20 0.37
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL7601427 0.90 MTNR1B (0.40) LMNAALDH1A1MAPTHTTPKM
SCHEMBL7598974 0.87 KMT2A (0.41) LMNAALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL7601352 0.86 KMT2A (0.41) LMNAALDH1A1MAPTPKMSMN1; SMN2
SCHEMBL7597627 0.85 KMT2A (0.40) ALDH1A1SMN1; SMN2L3MBTL1POLBATM
SCHEMBL7601403 0.85 KMT2A (0.40) ALDH1A1SMN1; SMN2L3MBTL1POLBATM
SCHEMBL8105519 0.85 KMT2A (0.40) LMNAALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL7602577 0.83 POLB (0.46) LMNAALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL7597987 0.81 L3MBTL1 (0.36) LMNAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL8111065 0.80 POLB (0.49) LMNAALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL7596376 0.80 POLB (0.47) LMNAALDH1A1MAPTSMN1; SMN2L3MBTL1

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