SCHEMBL8323602

SCHEMBL8323602

Cc1ccc2nc(C(C)C)c(/C=C/C(O)CC(O)CC(=O)O)c(-c3ccc(F)cc3)c2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.66
TBXA2R P21731 2/20 0.66
ADRA1A P35348 2/20 0.66
ESR1 P03372 1/20 0.66
CHRM1 P11229 1/20 0.66
PDE4A P27815 1/20 0.66
PDE4D Q08499 3/20 0.57
NR1I2 O75469 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP3A4 P08684 1/20 0.57
PDE6D O43924 1/20 0.57
NR4A2 P43354 2/20 0.56
CYP2C9 P11712 3/20 0.51
SIRT6 Q8N6T7 2/20 0.51
RXRA P19793 2/20 0.51
ABCC3 O15438 1/20 0.51
ABCB11 O95342 1/20 0.51
PGR P06401 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CCKAR P32238 1/20 0.51

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
SCHEMBL8321471 0.92 HMGCR (0.54) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL8318211 0.91 HMGCR (0.54) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL10661593 0.90 HMGCR (0.65) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL8321007 0.90 HMGCR (0.65) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL10661824 0.90 HMGCR (0.65) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL10661586 0.90 HMGCR (0.65) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL8325241 0.89 HMGCR (0.68) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL5500469 0.88 PDE4D (0.71) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL5500459 0.88 PDE4D (0.71) HMGCRTBXA2RADRA1AESR1CHRM1
SCHEMBL5500466 0.88 PDE4D (0.71) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304063-B1 Quinoline type mevalonolactones NISSAN CHEMICAL IND LTD (JP) 1994-11-30 EP claimed
EP-0304063-A2 Quinoline type mevalonolactones NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-02-22 EP claimed
US-5872130-A ANTI-HYPERLIPIDEMIC, HYPOLIPOPROTEINEMIC AND ANTI-ATHEROSCLEROTIC AGENTS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1999-02-16 US disclosed
US-5856336-A Quinoline type mevalonolactones NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1999-01-05 US disclosed
US-5854259-A Quinoline type mevalonolactones NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-12-29 US disclosed
EP-0304063-B1 Quinoline type mevalonolactones NISSAN CHEMICAL IND LTD (JP) 1994-11-30 EP disclosed
US-5102888-A QUINOLINE TYPE MEVALONOLACTONES USEFUL FOR TREATING HYPERLIPIDEMIA AND RELATED DISEASES NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-04-07 US disclosed
US-5011930-A Antilipemic agents, anticoagulants NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-04-30 US disclosed