SCHEMBL7791767

SCHEMBL7791767

Cc1nn(C)c2nc(C(C)C)c(/C=C/C(O)CC(O)CC(=O)O)c(-c3ccc(F)cc3)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.63
TBXA2R P21731 2/20 0.63
ADRA1A P35348 2/20 0.63
ESR1 P03372 1/20 0.63
CHRM1 P11229 1/20 0.63
PDE4A P27815 1/20 0.63
PDE4D Q08499 3/20 0.55
NR1I2 O75469 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
PDE6D O43924 1/20 0.55
CYP2C9 P11712 3/20 0.49
SIRT6 Q8N6T7 2/20 0.49
NR4A2 P43354 2/20 0.49
ABCC3 O15438 1/20 0.49
ABCB11 O95342 1/20 0.49
PGR P06401 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
RXRA P19793 1/20 0.49
CCKAR P32238 1/20 0.49

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
SCHEMBL9379024 0.89 HMGCR (0.60) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL9377780 0.89 HMGCR (0.60) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL10589475 0.88 HMGCR (0.59) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL9377479 0.88 HMGCR (0.59) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL9377304 0.88 HMGCR (0.59) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL9377538 0.87 HMGCR (0.58) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL7791746 0.86 PDE4D (0.65) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL9376325 0.85 HMGCR (0.60) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL9772121 0.83 HMGCR (0.60) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL9772118 0.83 HMGCR (0.60) HMGCRTBXA2RADRA1AESR1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0339358-B1 Pyrazolopyridine type mevalonolactones NISSAN CHEMICAL IND LTD (JP) 1994-07-13 EP claimed
EP-0339358-A1 Pyrazolopyridine type mevalonolactones NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-11-02 EP claimed
WO-1989010365-A1 PYRAZOLOPYRIDINE TYPE MEVALONOLACTONES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-02 WO claimed
JP-2275878-A None JP disclosed
EP-0535548-B1 Inhibitor of atherosclerotic intimal thickening NISSAN CHEMICAL IND LTD (JP) 2001-11-21 EP disclosed
US-6162798-A Inhibitor of atherosclerotic intimal thickening NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2000-12-19 US disclosed
EP-0339358-B1 Pyrazolopyridine type mevalonolactones NISSAN CHEMICAL IND LTD (JP) 1994-07-13 EP disclosed
EP-0535548-A1 Inhibitor of atherosclerotic intimal thickening NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-04-07 EP disclosed
US-5024999-A Anti-hyperlipidemia, anti-atherosclerosis agents NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-06-18 US disclosed
JP-H02275878-A PYRAZOLOPYRIDINE-BASED MEVALONOLACTONES NISSAN CHEM IND LTD 1990-11-09 JP disclosed
WO-1989010365-A1 PYRAZOLOPYRIDINE TYPE MEVALONOLACTONES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-02 WO disclosed