SCHEMBL9376325

SCHEMBL9376325

COc1ccc(-n2nc(C)c3c(-c4ccc(F)cc4)c(/C=C/C(O)CC(O)CC(=O)O)c(C(C)C)nc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.60
TBXA2R P21731 2/20 0.60
ADRA1A P35348 2/20 0.60
ESR1 P03372 1/20 0.60
CHRM1 P11229 1/20 0.60
PDE4A P27815 1/20 0.60
PDE4D Q08499 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
PDE6D O43924 1/20 0.49
NR1I2 O75469 1/20 0.49
CYP2C9 P11712 3/20 0.43
SIRT6 Q8N6T7 2/20 0.43
ABCC3 O15438 1/20 0.43
ABCB11 O95342 1/20 0.43
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
RXRA P19793 1/20 0.43
CCKAR P32238 1/20 0.43
PTGS2 P35354 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
SCHEMBL9377559 0.88 NR4A2 (0.57) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL7791767 0.85 HMGCR (0.63) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL9377780 0.83 HMGCR (0.60) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL9377538 0.81 HMGCR (0.58) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL8325241 0.81 HMGCR (0.68) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL9870875 0.80 HMGCR (0.72) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL9870884 0.80 HMGCR (0.72) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL27723008 0.78 HMGCR (0.77) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL10475392 0.77 HMGCR (0.65) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL9379024 0.77 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 6 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
EP-0339358-B1 Pyrazolopyridine type mevalonolactones NISSAN CHEMICAL IND LTD (JP) 1994-07-13 EP disclosed
US-5024999-A Anti-hyperlipidemia, anti-atherosclerosis agents NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-06-18 US disclosed
WO-1989010365-A1 PYRAZOLOPYRIDINE TYPE MEVALONOLACTONES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-02 WO disclosed