SCHEMBL6827416

SCHEMBL6827416

Nn1c(C2CCCCC2)cc(-c2ccc(C(=O)O)cc2)cc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
RXRA P19793 6/20 0.39
RXRB P28702 5/20 0.39
SRD5A2 P31213 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
EGFR P00533 1/20 0.37
GCGR P47871 1/20 0.37
GIPR P48546 1/20 0.37
NR1I2 O75469 1/20 0.37
KDM4B O94953 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
DOHH Q9BU89 1/20 0.37
RXRG P48443 2/20 0.36
KDM4A O75164 1/20 0.36

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
SCHEMBL6823842 0.90 PDE4D (0.41) PDE4APDE4BPDE4CPDE4DNR1I2
SCHEMBL6827991 0.86 KMO (0.50) KMOPDE4APDE4BPDE4CPDE4D
SCHEMBL6920288 0.85 L3MBTL1 (0.53) L3MBTL1NR1I2KDM4BCHRM1TBXA2R
SCHEMBL6826222 0.79 KCNH2 (0.38) L3MBTL1NR1I2KDM4BCHRM1TBXA2R
SCHEMBL6924508 0.77 L3MBTL1 (0.57) L3MBTL1
SCHEMBL6923317 0.74 L3MBTL1 (0.42) L3MBTL1NR1I2KDM4BCHRM1TBXA2R
SCHEMBL6824274 0.72 BACE1 (0.43) HRH3
SCHEMBL6827138 0.71 L3MBTL1 (0.76) RXRARXRBL3MBTL1EGFR
SCHEMBL6826999 0.71 L3MBTL1 (0.76) RXRARXRBL3MBTL1EGFR
SCHEMBL6919295 0.70 NR1I2 (0.42) KMONR1I2KDM4BCHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO claimed
WO-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed