SCHEMBL6554976

SCHEMBL6554976

CC(C)c1cc(C(C)C)c(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(C(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
CYP19A1 P11511 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41

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 0.81 CYP19A1 (0.47) MEN1KMT2AFABP3FABP4FABP5
SCHEMBL24426686 0.80 ALDH1A1 (0.50) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL4246719 0.70 FABP4 (0.62) FABP3FABP4FABP5ALDH1A1
SCHEMBL6748170 0.70 LOXL2 (0.47) MEN1KMT2AL3MBTL1LOXL2MAPT
SCHEMBL10915895 0.70 POLB (0.58) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL10718710 0.69 FABP4 (0.51) MEN1KMT2AFABP3FABP4FABP5
SCHEMBL515031 0.69 LOXL2 (0.53) MEN1KMT2AALDH1A1CYP2C19L3MBTL1
SCHEMBL3381147 0.69 ACHE (0.61) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL28357735 0.69 LOXL2 (0.57) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL753763 0.68 LOXL2 (0.53) MEN1KMT2AALDH1A1CYP1A2CYP3A4

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