SCHEMBL696514

SCHEMBL696514

CCCCCCOC(=O)c1ccccc1C(=O)C1=CC=CCC1=O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
TSHR P16473 5/20 0.64
LMNA P02545 3/20 0.64
MAPK1 P28482 3/20 0.62
CYP3A4 P08684 2/20 0.62
TP53 P04637 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 3/20 0.54
HSD17B10 Q99714 2/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41

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
SCHEMBL453283 0.83 ALDH1A1 (0.50) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL28141747 0.82 ALDH1A1 (0.75) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL9823512 0.82 TSHR (0.49) ALDH1A1TSHRLMNAMAPK1CYP3A4
Hydrogen Sulfide SCHEMBL18979491 0.82 ALDH1A1 (0.96) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL28172363 0.81 ALDH1A1 (0.73) ALDH1A1TSHRLMNAMAPK1CYP3A4
Formaldehyde SCHEMBL9062631 0.81 ALDH1A1 (0.48) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL27995940 0.80 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL8609367 0.80 ALDH1A1 (1.00) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL5072881 0.80 ALDH1A1 (1.00) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL3212303 0.80 ALDH1A1 (1.00) ALDH1A1TSHRLMNAMAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013036901-A2 POLYMERIZED SUNSCREEN ABSORBERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-03-14 WO claimed
EP-2421614-A1 COSMETIC OR DERMATOLOGICAL PREPARATION Dr. Straetmans GmbH (DE) 2012-02-29 EP claimed
WO-2010121759-A1 COSMETIC OR DERMATOLOGICAL PREPARATION DR. STRAETMANS GMBH (DE) 2010-10-28 WO claimed
EP-2969960-A1 PLANT-BASED COMPOSITIONS AND USES THEREOF GreenStract, LLC (US) 2016-01-20 EP disclosed
WO-2014145057-A1 PLANT-BASED COMPOSITIONS AND USES THEREOF GreenStract, LLC (US) 2014-09-18 WO disclosed
WO-2013045665-A1 COMPOSITION FOR TOPICAL APPLICATION COMPRISING A FISH PROTEIN HYDROLYSATE, APPLICATOR AND USE VITA LASER B.V. (NL) 2013-04-04 WO disclosed