SCHEMBL4864044

SCHEMBL4864044

C=CC(OS(=O)(=O)c1ccc(C)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
VDR P11473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 2/20 0.39
CYP2D6 P10635 2/20 0.39
LMNA P02545 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
DHODH Q02127 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CNR2 P34972 1/20 0.37
NPY2R P49146 1/20 0.37
TLR9 Q9NR96 1/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4733624 0.86 VDR (0.42) VDRHTTSMN1; SMN2MAPK1CYP2D6
SCHEMBL6762680 0.79 VDR (0.46) VDRHTTSMN1; SMN2MAPK1CYP2D6
SCHEMBL9475352 0.79 VDR (0.46) VDRHTTSMN1; SMN2MAPK1CYP2D6
SCHEMBL11814147 0.79 CYP1A2 (0.37) LMNAALDH1A1GAAKDM4ECYP1A2
SCHEMBL17128410 0.78 TUBB4A (0.39) C5AR1VDRKEAP1NFE2L2ALDH1A1
SCHEMBL491994 0.78 VDR (0.45) VDRHTTSMN1; SMN2MAPK1CYP2D6
SCHEMBL11988007 0.78 VDR (0.45) VDRHTTSMN1; SMN2MAPK1CYP2D6
SCHEMBL1169874 0.77 KDM4E (0.39) CYP2D6LMNAKEAP1ALDH1A1KDM4E
SCHEMBL778796 0.77 MAPT (0.37) HTTSMN1; SMN2MAPK1CYP2D6LMNA
SCHEMBL8571194 0.77 HTT (0.45) C5AR1VDRHTTSMN1; SMN2MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449112-B2 Crosslinked polyvinyl alcohol-based polymer membrane and a process of its preparation KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-11 US claimed
US-20050218069-A1 Novel crosslinked polyvinyl alcohol-based polymer membrane and a process of its preparation KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY 2005-10-06 US claimed
US-20020143267-A1 METABOLIC FITNESS TRAINING APPARATUS GENERAL ELECTRIC CAPITAL CORPORATION 2002-10-03 US disclosed
US-6454723-B1 Metabolic fitness training apparatus SUNBEAM PRODUCTS, INC. 2002-09-24 US disclosed
US-3936429-A Reactive polymer FUJI PHOTO FILM CO., LTD. (JA) 1976-02-03 US disclosed