SCHEMBL5309795

SCHEMBL5309795

CCCCCOC(=O)[C@@H](N)CC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
EPHX1 P07099 1/20 0.47
NOD1 Q9Y239 1/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.45
HTR2C P28335 1/20 0.44
HCAR2 Q8TDS4 2/20 0.44
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
ATM Q13315 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL2734819 0.98 NAAA (0.53) NAAAEPHX1NOD1TSHRALDH1A1
SCHEMBL13496604 0.98 NAAA (0.53) NAAAEPHX1NOD1TSHRALDH1A1
SCHEMBL13797805 0.98 NAAA (0.53) NAAAEPHX1NOD1TSHRALDH1A1
SCHEMBL28214264 0.98 NAAA (0.53) NAAAEPHX1NOD1TSHRALDH1A1
SCHEMBL8073073 0.98 NAAA (0.53) NAAAEPHX1NOD1TSHRALDH1A1
Hydrochloric Acid SCHEMBL27687913 0.96 NAAA (0.52) NAAAEPHX1NOD1TSHRALDH1A1
Hydrochloric Acid SCHEMBL8073071 0.96 NAAA (0.52) NAAAEPHX1NOD1TSHRALDH1A1
Hydrochloric Acid SCHEMBL215954 0.96 NAAA (0.52) NAAAEPHX1NOD1TSHRALDH1A1
SCHEMBL2734881 0.94 ALDH1A1 (0.52) NAAAEPHX1NOD1TSHRALDH1A1
SCHEMBL2734865 0.94 ALDH1A1 (0.52) NAAAEPHX1NOD1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294609-B2 Cleansing foam agent comprising a polyglycerin monocarboxylate and hinokitiol bactericide P& PF CO., LTD. (JP) 2007-11-13 US disclosed
EP-0835655-B1 ANTIBACTERIAL/BACTERICIDAL/ANTISEPTIC AGENT, DERMATOLOGIC PREPARATION, AND DETERGENT COMPOSITION P AND PF CO LTD (JP) 2007-09-12 EP disclosed
US-20060019855-A1 Composition for a bactericidal, disinfecting, and cleansing foam agent P & PF CO., LTD. (JP) 2006-01-26 US disclosed
US-6025312-A COMPOSITION CONTAINING ALUMINUM SALT OF HINOKITIOL AND/OR COMPLEX COMPOUND OF HINOKITIOL WITH ALUMINUM COMPOUND P & PF CO., LTD. (JP) 2000-02-15 US disclosed
EP-0835655-A1 ANTIBACTERIAL/BACTERICIDAL/ANTISEPTIC AGENT, DERMATOLOGIC PREPARATION, AND DETERGENT COMPOSITION P And PF CO., Ltd. (JP) 1998-04-15 EP disclosed