SCHEMBL6986828

SCHEMBL6986828

CC1(C)Oc2cc(Cl)c(O)cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.38
MCL1 Q07820 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ADRA1A P35348 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
DHFR P00374 1/20 0.31
TYMS P04818 1/20 0.31
CYP1A1 P04798 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL6994893 0.79 FTO (0.38) FTOHPGDTSHRHSD17B10
SCHEMBL5543912 0.71 MAPT (0.58) ALDH1A1KDM4EMAPTLMNANPSR1
SCHEMBL2433995 0.71 PPOX (0.41) HPGDALDH1A1KDM4EMAPT
SCHEMBL29921854 0.70 CCNC (0.43) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL3262766 0.69 ALDH1A1 (0.59) FTOHPGDHSD17B10ALDH1A1KDM4E
SCHEMBL11850892 0.68 FTO (0.40) FTOMAPTLMNADHFRTYMS
SCHEMBL26768896 0.67 FTO (0.40) FTOHSD17B10ALDH1A1KDM4EMAPT
SCHEMBL26767281 0.66 CNR2 (0.42) FTOHPGDALDH1A1KDM4EMAPT
SCHEMBL5543907 0.66 MAPT (0.37) HPGDTSHRHSD17B10ALDH1A1KDM4E
SCHEMBL13742830 0.66 CA1 (0.44) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863906-B1 HETEROCYCLIC DIOXETHANE SUBSTRATES, PROCESS FOR THEIR PREPARATION AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2003-02-12 EP disclosed
US-6107036-A Heterocyclic dioxethane substrates, process for their preparation and their use ROCHE DIAGNOSTICS GMBH (DE) 2000-08-22 US disclosed
EP-0863906-A2 HETEROCYCLIC DIOXETHANE SUBSTRATES, PROCESS FOR THEIR PREPARATION AND THEIR USE Roche Diagnostics GmbH (DE) 1998-09-16 EP disclosed
WO-1997014696-A2 HETEROCYCLIC DIOXETHANE SUBSTRATES, PROCESS FOR THEIR PREPARATION AND THEIR USE BOEHRINGER MANNHEIM GMBH (DE) 1997-04-24 WO disclosed