SCHEMBL7349631

SCHEMBL7349631

COc1cc(C=O)ccc1OCCCCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.67
CYP2C9 P11712 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
MAPT P10636 11/20 0.61
ALDH1A1 P00352 11/20 0.61
SMN1; SMN2 Q16637 6/20 0.59
HTT P42858 3/20 0.59
LMNA P02545 3/20 0.59
HPGD P15428 6/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
HSP90AA1 P07900 1/20 0.58
CYP2D6 P10635 1/20 0.57
TTR P02766 1/20 0.55
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PDE4A P27815 1/20 0.52

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
SCHEMBL9713042 0.99 FDPS (0.68) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL6942920 0.95 MAPT (0.59) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL6228384 0.95 MAPT (0.59) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL7545268 0.93 MAPT (0.60) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL6949716 0.91 MAPT (0.55) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL6950497 0.91 MAPT (0.55) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL9078005 0.91 FDPS (0.72) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL31331562 0.91 FDPS (0.72) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL30467197 0.90 FDPS (0.54) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL21427194 0.90 FDPS (0.54) FDPSCYP2C9NPSR1NPC1RAB9A

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-6297257-B1 Benzazine derivatives phosphodiesterase 4 inhibitors ZAMBON GROUP S.P.A. (IT) 2001-10-02 US disclosed
EP-1060173-A2 BENZAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2000-12-20 EP disclosed
WO-1999032449-A2 BENZAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 1999-07-01 WO disclosed