SCHEMBL7597996

SCHEMBL7597996

C=C(C)C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(NC(=O)C(=C)C)c(C)c4)cc3)cc2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 4/20 0.41
PKM P14618 2/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
RAF1 P04049 1/20 0.39
LMNA P02545 2/20 0.39
APEX1 P27695 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL7597622 0.87 POLB (0.41) HTTL3MBTL1TDP1CA12CA1
SCHEMBL7598616 0.86 CA1 (0.45) HTTL3MBTL1TDP1CA12CA1
SCHEMBL7601856 0.85 ALDH1A1 (0.47) L3MBTL1SMN1; SMN2MAPTCYP1A2LMNA
SCHEMBL7601061 0.85 NPC1 (0.44) HTTL3MBTL1TDP1CA12CA1
SCHEMBL7603741 0.81 PKM (0.50) HTTCA12CA1CA2CA9
SCHEMBL7599277 0.80 TDP1 (0.52) HTTL3MBTL1TDP1CA12CA1
SCHEMBL7601962 0.78 MAPT (0.45) HTTL3MBTL1TDP1CA12CA1
SCHEMBL7598040 0.74 MTNR1B (0.51) HTTL3MBTL1TDP1CA12CA1
SCHEMBL7598975 0.74 NPC1 (0.44) L3MBTL1TDP1CA12CA1CA2
SCHEMBL7601359 0.73 POLB (0.50) HTTL3MBTL1SMN1; SMN2POLBPKM

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