SCHEMBL7092812

SCHEMBL7092812

Cc1cc(C2CCCC2)n(O)c(=O)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.58
KDM4B O94953 1/20 0.58
CHRM1 P11229 1/20 0.58
TBXA2R P21731 1/20 0.58
ADRA1A P35348 1/20 0.58
DOHH Q9BU89 1/20 0.58
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC8 Q9BY41 2/20 0.31
KDM5B Q9UGL1 1/20 0.31
DAO P14920 4/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL10198315 0.98 NR1I2 (0.61) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL21429991 0.81 NR1I2 (0.58) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL21429989 0.81 NR1I2 (0.58) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL21429988 0.79 NR1I2 (0.55) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL10726819 0.79 NR1I2 (0.55) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL20036759 0.79 NR1I2 (0.50) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL28112249 0.77 NR1I2 (0.53) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL21430178 0.77 NR1I2 (0.49) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL21430062 0.76 NR1I2 (0.51) NR1I2KDM4BCHRM1TBXA2RADRA1A
Ciclopirox SCHEMBL1818483 0.74 NR1I2 (1.00) NR1I2KDM4BCHRM1TBXA2RADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030228340-A1 Methods for treating rosacea with pyridones MEDICIS PHARMACEUTICAL CORPORATION 2003-12-11 US disclosed
WO-2003084538-A1 METHODS FOR TREATING ROSACEA WITH PYRIDONES MEDICIS PHARMACEUTICAL CORPORATION (US) 2003-10-16 WO disclosed
US-3968118-A Process for the manufacture of 1-hydroxy-2-pyridones HOECHST AKTIENGESELLSCHAFT (DT) 1976-07-06 US disclosed