SCHEMBL7528179

SCHEMBL7528179

CCCCOc1ccc(CCC(=O)OC)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
PDE4A P27815 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HIF1A Q16665 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
ALDH1A1 P00352 1/20 0.54
FFAR1 O14842 2/20 0.53

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
SCHEMBL25172916 0.95 LMNA (0.57) LMNAL3MBTL1KDM4ECYP1A2CYP2D6
SCHEMBL17349905 0.95 LMNA (0.57) LMNAL3MBTL1KDM4ECYP1A2CYP2D6
SCHEMBL22439030 0.95 LMNA (0.57) LMNAL3MBTL1KDM4ECYP1A2CYP2D6
SCHEMBL6539026 0.95 LMNA (0.57) LMNAL3MBTL1KDM4ECYP1A2CYP2D6
SCHEMBL10334162 0.95 LMNA (0.57) LMNAL3MBTL1KDM4ECYP1A2CYP2D6
SCHEMBL7340690 0.93 RARB (0.56) LMNAL3MBTL1KDM4ECYP1A2CYP2D6
SCHEMBL28588481 0.92 LMNA (0.56) LMNAL3MBTL1KDM4ECYP1A2CYP2D6
SCHEMBL14162906 0.89 ALDH1A1 (0.60) LMNAL3MBTL1KDM4ECYP1A2CYP2D6
SCHEMBL28543599 0.89 ADRB2 (0.54) LMNAL3MBTL1ADRB2ADRB1FFAR1
SCHEMBL25176144 0.88 PLA2G4A (0.53) LMNAL3MBTL1KDM4ECYP1A2CYP2D6

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
WO-2002015691-A1 USE FOR CONIFER SAPLING PROTECTION AGAINST INSECT ATTACK ROBIGUS AB (SE) 2002-02-28 WO claimed
EP-2886530-A1 ORALLY ADMINISTRABLE VIRIDIOFUNGIN DERIVATIVE HAVING ANTI-HCV ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 2015-06-24 EP disclosed
WO-2002015691-A1 USE FOR CONIFER SAPLING PROTECTION AGAINST INSECT ATTACK ROBIGUS AB (SE) 2002-02-28 WO disclosed
EP-0588785-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-03-30 EP disclosed
US-5185363-A Administering for treatment of inflammatory diseases ABBOTT LABORATORIES (US) 1993-02-09 US disclosed
EP-0588785-A4 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1991-12-30 EP disclosed
WO-1990012008-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-10-18 WO disclosed
EP-0292699-A2 Urea based lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1988-11-30 EP disclosed