Octisalate

Octisalate

SCHEMBL14764329

CCCCC(CC)COC(=O)c1ccccc1O.CCCCC(CC)COC(=O)c1ccccc1O.CCCCC(CC)COC(=O)c1ccccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 1.00
ALDH1A1 P00352 6/20 0.84
CYP3A4 P08684 4/20 0.84
CA2 P00918 1/20 0.84
PRSS1 P07477 1/20 0.75
PRSS2 P07478 1/20 0.75
PRSS3 P35030 1/20 0.75
TSHR P16473 8/20 0.62
MAPK1 P28482 3/20 0.62
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 5/20 0.53
ATM Q13315 1/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.48

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
Octisalate SCHEMBL29362543 1.00 LMNA (1.00) LMNAALDH1A1CYP3A4CA2PRSS1
Octisalate SCHEMBL31160283 1.00 LMNA (1.00) LMNAALDH1A1CYP3A4CA2PRSS1
Octisalate SCHEMBL39594 1.00 LMNA (1.00) LMNAALDH1A1CYP3A4CA2PRSS1
Octisalate SCHEMBL1923015 1.00 LMNA (1.00) LMNAALDH1A1CYP3A4CA2PRSS1
Octisalate SCHEMBL31160278 1.00 LMNA (1.00) LMNAALDH1A1CYP3A4CA2PRSS1
Octisalate SCHEMBL28196757 0.99 LMNA (0.97) LMNAALDH1A1CYP3A4CA2PRSS1
Octisalate SCHEMBL19922608 0.99 LMNA (0.97) LMNAALDH1A1CYP3A4CA2PRSS1
Octisalate SCHEMBL6853192 0.95 LMNA (0.90) LMNAALDH1A1CYP3A4CA2PRSS1
Octisalate SCHEMBL20395019 0.95 LMNA (0.90) LMNAALDH1A1CYP3A4CA2PRSS1
SCHEMBL1963593 0.95 LMNA (0.90) LMNAALDH1A1CYP3A4CA2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013036892-A1 SYSTEMS AND METHODS FOR ASSESSMENT OF BIOSIMILARITY ATTAGENE, INC. (US) 2013-03-14 WO disclosed