SCHEMBL6554669

SCHEMBL6554669

CC(C)c1cc(C(C)C)c(S(=O)(=O)OCc2ccc([N+](=O)[O-])cc2)c(C(C)C)c1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.39
IDO1 P14902 2/20 0.38
AKR1C3 P42330 1/20 0.38
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL6553891 0.82 CYP19A1 (0.47) CYP19A1IDO1AKR1C3HTR2AALDH1A1
SCHEMBL5388305 0.71 FABP3 (0.49) CYP19A1ALDH1A1FABP3FABP4FABP5
SCHEMBL178363 0.71 FABP3 (0.49) CYP19A1ALDH1A1FABP3FABP4FABP5
SCHEMBL6209542 0.70 IDO1 (0.58) CYP19A1IDO1AKR1C3ALDH1A1CA12
SCHEMBL5376952 0.70 FABP3 (0.47) ALDH1A1FABP3FABP4FABP5SMN1; SMN2
SCHEMBL1827937 0.68 IDO1 (0.58) CYP19A1IDO1AKR1C3ALDH1A1CA12
SCHEMBL197968 0.68 ACHE (0.57) CYP19A1IDO1AKR1C3ALDH1A1CA12
SCHEMBL6209541 0.67 IDO1 (0.61) CYP19A1IDO1AKR1C3ALDH1A1CA12
SCHEMBL16978750 0.66 IDO1 (0.56) IDO1AKR1C3HTR2AALDH1A1MAOB
SCHEMBL6554976 0.66 MEN1 (0.44) CYP19A1ALDH1A1CA12CA1CA2

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-20040076909-A1 Colour changing composition and colouring polymeric articles made therefrom SHIRLEY DIANNE BETH (GB) 2004-04-22 US 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
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