SCHEMBL7601403

SCHEMBL7601403

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ADRA2C P18825 1/20 0.34
CACNA1H O95180 4/20 0.34
GAA P10253 3/20 0.34
CACNA1B Q00975 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7598974 0.91 KMT2A (0.41) KMT2APOLBL3MBTL1ATMTDP1
SCHEMBL7601352 0.90 KMT2A (0.41) KMT2APOLBL3MBTL1ATMTDP1
SCHEMBL7597627 0.89 KMT2A (0.40) KMT2APOLBL3MBTL1ATMTDP1
SCHEMBL8105519 0.87 KMT2A (0.40) KMT2APOLBL3MBTL1ATMTDP1
SCHEMBL8097649 0.85 LMNA (0.39) KMT2APOLBL3MBTL1ATMTDP1
SCHEMBL7602577 0.81 POLB (0.46) KMT2APOLBL3MBTL1ATMTDP1
SCHEMBL7602558 0.80 POLB (0.46) KMT2APOLBL3MBTL1ATMTDP1
SCHEMBL7597987 0.80 L3MBTL1 (0.36) KMT2APOLBL3MBTL1ATMTDP1
SCHEMBL7596376 0.79 POLB (0.47) KMT2APOLBL3MBTL1ATMTDP1
SCHEMBL8111065 0.79 POLB (0.49) KMT2APOLBL3MBTL1ATMTDP1

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