SCHEMBL1963593

SCHEMBL1963593

CCCCCCC(CC)COC(=O)c1ccccc1O

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.90
PRSS1 P07477 1/20 0.85
PRSS2 P07478 1/20 0.85
PRSS3 P35030 1/20 0.85
ALDH1A1 P00352 8/20 0.75
CYP3A4 P08684 4/20 0.75
CA2 P00918 1/20 0.75
TSHR P16473 6/20 0.56
MAPK1 P28482 3/20 0.56
TDP1 Q9NUW8 4/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.49
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
NAAA Q02083 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.44

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
SCHEMBL30190011 0.95 LMNA (0.80) LMNAPRSS1PRSS2PRSS3ALDH1A1
Octisalate SCHEMBL1923015 0.95 LMNA (1.00) LMNAPRSS1PRSS2PRSS3ALDH1A1
Octisalate SCHEMBL31160283 0.95 LMNA (1.00) LMNAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL28614446 0.95 LMNA (0.80) LMNAPRSS1PRSS2PRSS3ALDH1A1
Octisalate SCHEMBL31160278 0.95 LMNA (1.00) LMNAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL25224695 0.95 LMNA (0.80) LMNAPRSS1PRSS2PRSS3ALDH1A1
Octisalate SCHEMBL14764329 0.95 LMNA (1.00) LMNAPRSS1PRSS2PRSS3ALDH1A1
Octisalate SCHEMBL29362543 0.95 LMNA (1.00) LMNAPRSS1PRSS2PRSS3ALDH1A1
Octisalate SCHEMBL39594 0.95 LMNA (1.00) LMNAPRSS1PRSS2PRSS3ALDH1A1
Octisalate SCHEMBL19922608 0.93 LMNA (0.97) LMNAPRSS1PRSS2PRSS3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110139887-A1 Method of Atomization NIKKISO CO., LTD. (JP) 2011-06-16 US claimed
US-8460401-B2 Method of atomization NIKKISO CO., LTD. (JP) 2013-06-11 US disclosed
US-20110139887-A1 Method of Atomization NIKKISO CO., LTD. (JP) 2011-06-16 US disclosed
EP-2226119-A1 METHOD OF ATOMIZATION NIKKISO CO., LTD. (JP) 2010-09-08 EP disclosed