SCHEMBL29568554

SCHEMBL29568554

COc1cc(C=O)ccc1OCCCCO

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.77
CYP2C9 P11712 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
MAPT P10636 10/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
LMNA P02545 3/20 0.62
HTT P42858 2/20 0.62
ALDH1A1 P00352 13/20 0.62
TSHR P16473 1/20 0.62
HPGD P15428 7/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
HSP90AA1 P07900 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.56
CYP2D6 P10635 1/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL15016289 1.00 FDPS (0.77) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL28939312 0.98 FDPS (0.74) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL28734158 0.98 FDPS (0.74) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL28734168 0.98 FDPS (0.74) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL2030193 0.98 FDPS (0.74) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL3089193 0.98 FDPS (0.74) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL28734153 0.98 FDPS (0.74) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL7136784 0.98 FDPS (0.74) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL1224132 0.95 FDPS (0.79) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL31121102 0.95 FDPS (0.79) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507339-B Preparation method of vanillin-based polyester 南昌大学 2023-04-07 CN disclosed
CN-114507339-A Preparation method of vanillin-based polyester 南昌大学 2022-05-17 CN disclosed