SCHEMBL7601962

SCHEMBL7601962

C=C(C)C(=O)Nc1ccccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccccc3NC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
POLB P06746 3/20 0.44
LMNA P02545 1/20 0.44
ADRA2C P18825 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ATM Q13315 2/20 0.43
GAA P10253 4/20 0.43
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.41
KCNH2 Q12809 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL7599476 0.86 PTGDR2 (0.46) MAPTCA12CA1CA2CA9
SCHEMBL7601856 0.81 ALDH1A1 (0.47) MAPTL3MBTL1LMNAALDH1A1GAA
SCHEMBL7603741 0.79 PKM (0.50) MAPTCA12CA1CA2CA9
SCHEMBL7597987 0.79 L3MBTL1 (0.36) MAPTCA12CA1CA2CA9
SCHEMBL7597622 0.78 POLB (0.41) MAPTCA12CA1CA2CA9
SCHEMBL7599277 0.78 TDP1 (0.52) MAPTCA12CA1CA2CA9
SCHEMBL7597996 0.78 HTT (0.44) MAPTCA12CA1CA2CA9
SCHEMBL7602577 0.77 POLB (0.46) MAPTL3MBTL1POLBLMNAADRA2C
SCHEMBL8619698 0.77 HTT (0.51) CA12CA1CA2CA9L3MBTL1
SCHEMBL7598616 0.77 CA1 (0.45) MAPTCA12CA1CA2CA9

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