SCHEMBL7602716

SCHEMBL7602716

C=Cc1ccc(CC(=O)Nc2ccccc2Oc2ccc(S(=O)(=O)c3ccc(Oc4ccccc4NC(=O)Cc4ccc(C=C)c(C)c4)cc3)cc2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GAA P10253 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 3/20 0.41
ADRA2C P18825 1/20 0.41
RORC P51449 2/20 0.41
ATM Q13315 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
PRMT1 Q99873 1/20 0.39

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
SCHEMBL7601066 0.90 ALDH1A1 (0.58) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL7602651 0.90 GAA (0.52) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL7601793 0.89 ALDH1A1 (0.50) ALDH1A1GAAL3MBTL1LMNATDP1
SCHEMBL7602530 0.84 GAA (0.59) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL7599812 0.83 GAA (0.56) ALDH1A1GAAL3MBTL1LMNAMEN1
SCHEMBL7603048 0.83 CYP1A2 (0.53) ALDH1A1LMNAPOLBNPSR1MAPT
SCHEMBL7598284 0.82 GAA (0.50) ALDH1A1GAAL3MBTL1LMNAMEN1
SCHEMBL7598422 0.77 ALDH1A1 (0.48) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL7599022 0.75 GAA (0.56) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL7601893 0.74 GAA (0.55) ALDH1A1GAAL3MBTL1POLBADRA2C

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