SCHEMBL7598616

SCHEMBL7598616

C=C(C)C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(NC(=O)C(=C)C)c(Cl)c4)cc3)cc2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 2/20 0.45
STK39 Q9UEW8 1/20 0.42
CA12 O43570 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SOS1 Q07889 1/20 0.39
BCL2L1 Q07817 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
LMNA P02545 1/20 0.38
APEX1 P27695 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 0.86 POLB (0.41) CA1CA2CA9STK39CA12
SCHEMBL7597996 0.86 HTT (0.44) CA1CA2CA9CA12NPC1
SCHEMBL7600760 0.85 CA1 (0.56) CA1CA2CA9CA12NPC1
SCHEMBL7601856 0.84 ALDH1A1 (0.47) L3MBTL1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL7603741 0.80 PKM (0.50) CA1CA2CA9CA12POLB
SCHEMBL7599277 0.79 TDP1 (0.52) CA1CA2CA9CA12NPC1
SCHEMBL7601962 0.77 MAPT (0.45) CA1CA2CA9CA12POLB
SCHEMBL7598040 0.73 MTNR1B (0.51) CA1CA2CA9CA12L3MBTL1
SCHEMBL14271602 0.73 KDM4E (0.39) CA1CA2CA9POLBL3MBTL1
SCHEMBL28534851 0.73 USP2 (0.55) NPC1POLBMAPTPDK1PDK2

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