SCHEMBL7791746

SCHEMBL7791746

Cc1nn(C)c2nc(C3CC3)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
PDE4D Q08499 3/20 0.65
NR4A2 P43354 2/20 0.65
NR1I2 O75469 2/20 0.65
HMGCR P04035 10/20 0.56
RXRA P19793 2/20 0.56
TBXA2R P21731 2/20 0.48
ADRA1A P35348 2/20 0.48
ESR1 P03372 1/20 0.48
CHRM1 P11229 1/20 0.48
PDE4A P27815 1/20 0.48
CYP2C9 P11712 3/20 0.45
SIRT6 Q8N6T7 2/20 0.45
ABCC3 O15438 1/20 0.45
ABCB11 O95342 1/20 0.45
PGR P06401 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CCKAR P32238 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC10A1 Q14973 1/20 0.45
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL9377373 0.90 PDE4D (0.67) PDE4DNR4A2NR1I2HMGCRRXRA
SCHEMBL9377403 0.90 PDE4D (0.62) PDE4DNR4A2NR1I2HMGCRRXRA
SCHEMBL10589790 0.88 PDE4D (0.60) PDE4DNR4A2NR1I2HMGCRRXRA
SCHEMBL9376835 0.88 PDE4D (0.64) PDE4DNR4A2NR1I2HMGCRRXRA
SCHEMBL7791767 0.86 HMGCR (0.63) PDE4DNR4A2NR1I2HMGCRRXRA
SCHEMBL9377559 0.86 NR4A2 (0.57) PDE4DNR4A2NR1I2HMGCRRXRA
SCHEMBL9377479 0.86 HMGCR (0.59) PDE4DNR4A2NR1I2HMGCRRXRA
SCHEMBL9376470 0.85 PDE4D (0.64) PDE4DNR4A2NR1I2HMGCRRXRA
SCHEMBL9742226 0.82 NR4A2 (0.67) PDE4DNR4A2NR1I2HMGCRRXRA
SCHEMBL10434665 0.82 NR4A2 (0.67) PDE4DNR4A2NR1I2HMGCRRXRA

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-0535548-B1 Inhibitor of atherosclerotic intimal thickening NISSAN CHEMICAL IND LTD (JP) 2001-11-21 EP claimed
US-6162798-A Inhibitor of atherosclerotic intimal thickening NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2000-12-19 US claimed
EP-0339358-B1 Pyrazolopyridine type mevalonolactones NISSAN CHEMICAL IND LTD (JP) 1994-07-13 EP claimed
EP-0535548-A1 Inhibitor of atherosclerotic intimal thickening NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-04-07 EP claimed
US-5024999-A Anti-hyperlipidemia, anti-atherosclerosis agents NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-06-18 US 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
US-5024999-A Anti-hyperlipidemia, anti-atherosclerosis agents NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-06-18 US disclosed
EP-0339358-A1 Pyrazolopyridine type mevalonolactones NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-11-02 EP disclosed