SCHEMBL6205673

SCHEMBL6205673

CC1=CC(=O)C(=O)C(C)(C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
USP2 O75604 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
BLM P54132 2/20 0.38
KMT2A Q03164 2/20 0.38
PLIN1 O60240 1/20 0.38
NR1I2 O75469 1/20 0.38
GSR P00390 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
HSPD1 P10809 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 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
SCHEMBL11349176 0.76 MEN1 (0.30) MEN1USP2ALDH1A1GAAMAPT
SCHEMBL11512282 0.74 CTSD (0.31)
SCHEMBL3624714 0.66 ALDH1A1 (0.50) MEN1USP2ALDH1A1GAAMAPT
P-Xyloquinone SCHEMBL49964 0.66 PLK1 (0.60) MEN1USP2ALDH1A1GAAMAPT
SCHEMBL14493750 0.63 MEN1 (0.32) MEN1USP2ALDH1A1GAAMAPT
SCHEMBL11863392 0.62
SCHEMBL17581103 0.61
SCHEMBL279560 0.61 TYMS (0.62) MEN1ALDH1A1GAAMAPTMAPK1
SCHEMBL11704367 0.59 PLK1 (0.46) MEN1USP2ALDH1A1GAAMAPT
SCHEMBL11539605 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292268-B1 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2005-02-23 EP claimed
EP-1292268-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 EP claimed
WO-2001097764-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO claimed
EP-1292268-B1 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2005-02-23 EP disclosed
EP-1292268-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 EP disclosed
WO-2001097764-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO disclosed
US-5101032-A Sensitizers for photopolymerization and electrography BASF AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
EP-0425976-A2 Cycloalkylidene dye-stuffs BASF Aktiengesellschaft (DE) 1991-05-08 EP disclosed