SCHEMBL9894412

SCHEMBL9894412

CCCC=CCCC(CC)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ CHRM1 P11229 1/20 0.48
▸ AKR1A1 P14550 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ SLC1A2 P43004 4/20 0.41
▸ SLC1A1 P43005 4/20 0.41
▸ SLC1A3 P43003 3/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ GRIK1 P39086 2/20 0.38

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
SCHEMBL15636725 0.88 CA2 (0.64) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL15636724 0.88 CA2 (0.64) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL28473698 0.88 CA2 (0.64) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL1705894 0.88 CA2 (0.52) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL7176194 0.88 CA2 (0.52) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL8331839 0.88 CA2 (0.52) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL514801 0.86 CA2 (0.62) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL514800 0.86 CA2 (0.62) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL26107677 0.86 CA2 (0.62) CA2MAPK1CHRM1TDP1
SCHEMBL11011037 0.84 CA2 (0.48) CA2MAPK1CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648521-B1 INOCULANTS INCLUDING BACILLUS BACTERIA FOR INDUCING PRODUCTION OF VOLATILE ORGANIC COMPOUNDS IN PLANTS UNIV AUBURN (US) 2020-02-05 — — EP disclosed
US-9615583-B2 Inoculants including Bacillus bacteria for inducing production of volatile organic compounds in plants AUBURN UNIVERSITY (US) 2017-04-11 — — US disclosed
US-20160192661-A1 Inoculants Including Bacillus Bacteria for Inducing Production of Volatile Organic Compounds in Plants AUBURN UNIVERSITY (US) 2016-07-07 — — US disclosed
US-9282745-B2 Inoculants including Bacillus simplex for inducing production of volatile organic compounds in plants AUBURN UNIVERSITY (US) 2016-03-15 — — US disclosed
EP-2648521-A1 INOCULANTS INCLUDING BACILLUS BACTERIA FOR INDUCING PRODUCTION OF VOLATILE ORGANIC COMPOUNDS IN PLANTS Auburn University (US) 2013-10-16 — — EP disclosed
US-20130267418-A1 Inoculants Including Bacillus Bacteria for Inducing Production of Volatile Organic Compounds in Plants AUBURN UNIVERSITY 2013-10-10 — — US disclosed
US-8445255-B2 Inoculants including Bacillus bacteria for inducing production of volatile organic compounds in plants AUBURN UNIVERSITY (US) 2013-05-21 — — US disclosed
US-20120149571-A1 Inoculants Including Bacillus Bacteria for Inducing Production of Volatile Organic Compounds in Plants AUBURN UNIVERSITY (US) 2012-06-14 — — US disclosed
WO-2012079073-A1 INOCULANTS INCLUDING BACILLUS BACTERIA FOR INDUCING PRODUCTION OF VOLATILE ORGANIC COMPOUNDS IN PLANTS AUBURN UNIVERSITY (US) 2012-06-14 — — WO disclosed
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