SCHEMBL9749591

SCHEMBL9749591

CCCC(=O)c1ccc2nc3ccc(=O)cc-3oc2c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.59
CYP1A2 P05177 1/20 0.58
TAS1R3 Q7RTX0 4/20 0.42
TAS1R1 Q7RTX1 4/20 0.42
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 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
SCHEMBL9538200 0.82 APP (0.68) APPCYP1A2
Butyric Acid SCHEMBL381472 0.81 APP (0.74) APPCYP1A2HPGDTSHR
SCHEMBL9538736 0.81 APP (0.66) APPCYP1A2
SCHEMBL14757935 0.80 TAS1R3 (0.61) TAS1R3TAS1R1HPGD
SCHEMBL12189748 0.80 APP (0.67) APPCYP1A2HPGD
Butyric Acid SCHEMBL381473 0.78 APP (0.52) APPCYP1A2LMNA
SCHEMBL5085776 0.78 APP (0.61) APPCYP1A2LMNAHPGD
Alcohol SCHEMBL6810203 0.77 APP (0.86) APPCYP1A2
SCHEMBL31403999 0.77 APP (0.55) APPCYP1A2TAS1R3TAS1R1
SCHEMBL563769 0.77 APP (0.66) APPCYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089395-A High speed qualitative, quantitative analysis UNIVERSITY OF CINCINNATI (US) 1992-02-18 US disclosed
EP-0215066-A1 VIABLE MICROORGANISM DETECTION BY INDUCED FLUORESCENCE UNIVERSITY OF CINCINNATI (US) 1987-03-25 EP disclosed
WO-1986005206-A1 VIABLE MICROORGANISM DETECTION BY INDUCED FLUORESCENCE UNIVERSITY OF CINCINNATI (US) 1986-09-12 WO disclosed