SCHEMBL9012839

SCHEMBL9012839

CN(C)c1cc(=O)c(O)cn1C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.42
TYR P14679 2/20 0.41
HRH3 Q9Y5N1 2/20 0.37
COMT P21964 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13386366 0.73 BRD4 (0.35) APPTYRHRH3
SCHEMBL2117724 0.72 TYR (0.58) APPTYRCOMT
SCHEMBL13555556 0.72 TYR (0.41) APPTYRHRH3COMTKDM4E
SCHEMBL23139408 0.71 APP (0.45) APPTYRCOMTKDM4E
SCHEMBL15100202 0.69 APP (0.44) APPTYRHPGD
SCHEMBL15991636 0.68 CCNC (0.49) APPTYRKDM4EALDH1A1HSD17B10
SCHEMBL11926716 0.68 TYR (0.49) APPTYRCOMT
SCHEMBL7931821 0.68 COMT (0.56) APPTYRCOMTKDM4E
SCHEMBL2117658 0.67 APP (0.41) APPTYRCOMT
SCHEMBL2117671 0.67 TYR (0.43) APPTYRCOMT

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
US-5532354-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5401734-A MICROBIOCIDES FUJISAWA PHAMACEUTICAL CO., LTD. (JP) 1995-03-28 US disclosed
US-5244890-A Treatment of infectious diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0345671-A2 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-13 EP disclosed