SCHEMBL6553891

SCHEMBL6553891

CC(C)c1cc(C(C)C)c(S(=O)(=O)OCc2ccc([N+](=O)[O-])cc2)c(C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.47
IDO1 P14902 2/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
AKR1C3 P42330 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HTR2A P28223 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MAOB P27338 2/20 0.37

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
SCHEMBL6554669 0.82 CYP19A1 (0.39) CYP19A1IDO1CA1CA2CA12
SCHEMBL6554976 0.81 MEN1 (0.44) CYP19A1CA1CA2CA12CA9
SCHEMBL11888501 0.72 FABP4 (0.55) FABP3FABP4FABP5ALDH1A1
SCHEMBL1827937 0.72 IDO1 (0.58) CYP19A1IDO1CA1CA2CA12
SCHEMBL197968 0.72 ACHE (0.57) CYP19A1IDO1CA1CA2CA12
SCHEMBL6209541 0.71 IDO1 (0.61) CYP19A1IDO1CA1CA2CA12
SCHEMBL8400160 0.70 MEN1 (0.53) CYP19A1IDO1CA1CA2CA12
SCHEMBL8970628 0.69 MMP1 (0.48) CYP19A1IDO1CA1CA2CA12
SCHEMBL9861078 0.69 IDO1 (0.54) CYP19A1IDO1CA1CA2CA12
SCHEMBL9861066 0.69 IDO1 (0.54) CYP19A1IDO1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1248047-C Colour changing composition and colouring polymeric articles made therefrom VANTIKO LTD (GB) 2006-03-29 CN disclosed
EP-1103017-B1 COLOUR CHANGING COMPOSITION AND COLOURING POLYMERIC ARTICLES MADE THEREFROM VANTICO LTD (GB) 2004-02-25 EP disclosed
US-6649311-B1 Dispersed Microcapsules containing a photosensitive colour changing composition; cationic photoinitiators; stereolithography VANTICO LIMITED (GB) 2003-11-18 US disclosed
CN-1316067-A Colour changing composition and colouring polymeric articles made therefrom VANTIKO LTD (GB) 2001-10-03 CN disclosed
EP-1103017-A1 COLOUR CHANGING COMPOSITION AND COLOURING POLYMERIC ARTICLES MADE THEREFROM Vantico Limited (GB) 2001-05-30 EP disclosed
WO-2000007071-A1 COLOUR CHANGING COMPOSITION AND COLOURING POLYMERIC ARTICLES MADE THEREFROM VANTICO LIMITED (GB) 2000-02-10 WO disclosed