SCHEMBL7598974

SCHEMBL7598974

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 2/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ADRA2C P18825 1/20 0.35
GAA P10253 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CACNA1H O95180 5/20 0.35
CACNA1B Q00975 3/20 0.35
MEN1 O00255 2/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL7601352 0.92 KMT2A (0.41) KMT2AL3MBTL1POLBATMTDP1
SCHEMBL7597627 0.91 KMT2A (0.40) KMT2AL3MBTL1POLBATMTDP1
SCHEMBL7601403 0.91 KMT2A (0.40) KMT2AL3MBTL1POLBATMTDP1
SCHEMBL8105519 0.89 KMT2A (0.40) KMT2AL3MBTL1POLBATMTDP1
SCHEMBL8097649 0.87 LMNA (0.39) KMT2AL3MBTL1POLBATMTDP1
SCHEMBL7602577 0.83 POLB (0.46) KMT2AL3MBTL1POLBATMTDP1
SCHEMBL7597987 0.81 L3MBTL1 (0.36) KMT2AL3MBTL1POLBATMTDP1
SCHEMBL8111065 0.80 POLB (0.49) KMT2AL3MBTL1POLBATMTDP1
SCHEMBL7596376 0.80 POLB (0.47) KMT2AL3MBTL1POLBATMTDP1
SCHEMBL7602558 0.80 POLB (0.46) KMT2AL3MBTL1POLBATMTDP1

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