SCHEMBL7361734

SCHEMBL7361734

CCCCOCCOCCOc1cc(C=O)ccc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.66
ALDH1A1 P00352 12/20 0.63
MAPT P10636 11/20 0.61
LMNA P02545 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
NPSR1 Q6W5P4 2/20 0.61
HTT P42858 2/20 0.61
HPGD P15428 8/20 0.60
CYP2C9 P11712 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2D6 P10635 1/20 0.60
TSHR P16473 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPK1 P28482 1/20 0.54
RECQL P46063 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL2880949 0.94 FDPS (0.75) FDPSALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1748837 0.93 FDPS (0.71) FDPSALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5111350 0.88 FDPS (0.69) FDPSALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7355634 0.87 FDPS (0.71) FDPSALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL13352265 0.87 FDPS (0.67) FDPSALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL686103 0.87 FDPS (0.81) FDPSALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7661907 0.87 FDPS (0.86) FDPSALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL16067479 0.86 FDPS (0.74) FDPSALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1121628 0.85 FDPS (0.73) FDPSALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2821372 0.85 FDPS (0.67) FDPSALDH1A1MAPTLMNASMN1; SMN2

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
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed