SCHEMBL7601793

SCHEMBL7601793

C=Cc1ccc(CC(=O)Nc2ccccc2Oc2ccc(S(=O)(=O)c3ccc(Oc4ccccc4NC(=O)Cc4ccc(C=C)c(Cl)c4)cc3)cc2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
GAA P10253 2/20 0.50
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
KCNQ2 O43526 1/20 0.41
ADRA2C P18825 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
RORC P51449 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 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
SCHEMBL7602651 0.90 GAA (0.52) ALDH1A1GAACA1CA2CA12
SCHEMBL7602716 0.89 ALDH1A1 (0.53) ALDH1A1GAAADRA2CNPSR1RORC
SCHEMBL7601066 0.89 ALDH1A1 (0.58) ALDH1A1GAACA1CA2CA12
SCHEMBL7602530 0.84 GAA (0.59) ALDH1A1GAACA1CA2CA12
SCHEMBL7599792 0.83 SMN1; SMN2 (0.45) ALDH1A1GAANPSR1L3MBTL1MAPT
SCHEMBL7599812 0.83 GAA (0.56) ALDH1A1GAACA1CA2KCNQ2
SCHEMBL7598284 0.82 GAA (0.50) ALDH1A1GAACA1CA2CA12
SCHEMBL7599022 0.75 GAA (0.56) ALDH1A1GAAADRA2CL3MBTL1TDP1
SCHEMBL7601893 0.74 GAA (0.55) ALDH1A1GAACA1CA2KCNQ2
SCHEMBL7598422 0.74 ALDH1A1 (0.48) ALDH1A1GAANPSR1MAPTSMN1; SMN2

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