SCHEMBL6568099

SCHEMBL6568099

Nc1ccccc1C(=O)OCCCc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.82
HSD17B10 Q99714 6/20 0.82
NPC1 O15118 4/20 0.82
RAB9A P51151 4/20 0.82
TSHR P16473 4/20 0.82
TDP1 Q9NUW8 4/20 0.82
SMN1; SMN2 Q16637 3/20 0.82
L3MBTL1 Q9Y468 3/20 0.82
HPGD P15428 2/20 0.82
CYP3A4 P08684 2/20 0.82
MAPK1 P28482 2/20 0.82
TP53 P04637 1/20 0.82
GLA P06280 1/20 0.82
HIF1A Q16665 1/20 0.82
KDM4E B2RXH2 3/20 0.66
MEN1 O00255 1/20 0.66
NFKB1 P19838 1/20 0.66
NFKB2 Q00653 1/20 0.66
KMT2A Q03164 1/20 0.66
RELA Q04206 1/20 0.66

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
SCHEMBL28683316 0.95 ALDH1A1 (0.80) ALDH1A1HSD17B10NPC1RAB9ATSHR
SCHEMBL31053811 0.90 ALDH1A1 (1.00) ALDH1A1HSD17B10NPC1RAB9ATSHR
SCHEMBL446803 0.90 ALDH1A1 (1.00) ALDH1A1HSD17B10NPC1RAB9ATSHR
SCHEMBL20357951 0.89 LMNA (0.66) ALDH1A1HSD17B10NPC1RAB9ATSHR
SCHEMBL1792977 0.87 ALDH1A1 (0.81) ALDH1A1HSD17B10NPC1RAB9ATSHR
SCHEMBL1799959 0.87 ALDH1A1 (0.81) ALDH1A1HSD17B10NPC1RAB9ATSHR
SCHEMBL1805376 0.87 ALDH1A1 (0.80) ALDH1A1HSD17B10NPC1RAB9ATSHR
SCHEMBL28109054 0.85 ALDH1A1 (0.84) ALDH1A1HSD17B10NPC1RAB9ATSHR
Phenethyl Benzoate SCHEMBL28250184 0.85 ALDH1A1 (0.88) ALDH1A1HSD17B10NPC1RAB9ATSHR
SCHEMBL20357952 0.84 ALDH1A1 (0.65) ALDH1A1HSD17B10NPC1RAB9ATSHR

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
EP-1004654-B1 Adjuvants and methods for raising intracellular calcium ion concentration TAKASAGO PERFUMERY CO LTD (JP) 2004-04-14 EP disclosed
US-6150409-A PREVENTING ADAPTATION TO AN ODOR-EMITTING SUBSTANCE BY COMBINING AN (ALKYL)AMINO-SUBSTITUTED BENZOIC ACID ESTER OF GIVEN FORMULA WITH THE ODOR-EMITTING SUBSTANCE TO PROLONG THE SENSORY RESPONSE OF THE SUBJECT MONELL CHEMICAL SENSES CENTER (US) 2000-11-21 US disclosed
JP-2000154396-A ADJUVANT FOR INCREASING INTRACELLULAR CALCIUM ION CONCENTRATION TAKASAGO INTERNATL CORP 2000-06-06 JP disclosed
EP-1004654-A2 Adjuvants and methods for raising intracellular calcium ion concentration Takasago International Corporation (JP) 2000-05-31 EP disclosed