SCHEMBL9788409

SCHEMBL9788409

Cc1ccc(-c2nc(-c3ccc(F)cc3)c(/C=C/C=O)c(C(C)C)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.51
GCGR P47871 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
PDE6D O43924 1/20 0.38
NR1I2 O75469 1/20 0.38
PDE4D Q08499 1/20 0.38
ABCC3 O15438 1/20 0.36
ABCC4 O15439 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL10433924 0.91 HMGCR (0.57) HMGCRGCGRALDH1A1CYP3A4PDE6D
SCHEMBL10434205 0.91 HMGCR (0.57) HMGCRGCGRALDH1A1CYP3A4PDE6D
SCHEMBL10129259 0.80 HMGCR (0.48) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL17875116 0.80 ADORA1 (0.41) HMGCRGCGRALDH1A1CYP3A4PDE6D
SCHEMBL9562922 0.78 HMGCR (0.56) HMGCRGCGRALDH1A1CYP3A4PDE6D
SCHEMBL9788395 0.78 DPP4 (0.45) HMGCRALDH1A1PDE4DKMT2AMAPT
SCHEMBL14762690 0.77 HMGCR (0.41) HMGCRGCGRALDH1A1CYP3A4PDE6D
SCHEMBL17965454 0.77 HMGCR (0.46) HMGCRGCGRALDH1A1CYP3A4PDE6D
SCHEMBL14762686 0.77 HMGCR (0.41) HMGCRGCGRALDH1A1CYP3A4PDE6D
SCHEMBL17965453 0.77 HMGCR (0.46) HMGCRGCGRALDH1A1CYP3A4PDE6D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026708-A Pyrimidine type mevalonolactones NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-06-25 US disclosed
WO-1990010624-A1 PYRIMIDINE TYPE MEVALONOLACTONES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-20 WO disclosed
EP-0308736-A2 Pyrimidine type mevalonolactones NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-03-29 EP disclosed