SCHEMBL9263291

SCHEMBL9263291

COC(=O)c1c(C)nc(C)c(CO)c1-c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.65
ABCG2 Q9UNQ0 1/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.45
PLA2G2A P14555 1/20 0.45
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SLC6A4 P31645 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
SCHEMBL8949698 0.81 GCGR (0.56) GCGRNPC1RAB9A
SCHEMBL9267723 0.80 SMN1; SMN2 (0.61) GCGRABCG2KDM4ESMN1; SMN2NPC1
SCHEMBL6957028 0.80 GCGR (0.50) GCGRKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL2647513 0.79 GCGR (1.00) GCGR
SCHEMBL14576912 0.78 GCGR (0.51) GCGRABCG2KDM4ESMN1; SMN2NPC1
SCHEMBL5098380 0.78 GCGR (0.84) GCGRSMN1; SMN2NPC1RAB9ACASP3
SCHEMBL8177588 0.77 GCGR (0.87) GCGRLMNA
SCHEMBL6013116 0.77 GCGR (0.58) GCGRSMN1; SMN2NPC1RAB9ACASP3
SCHEMBL5451877 0.77 DPP4 (0.64) GCGR
SCHEMBL9221722 0.76 GCGR (0.85) GCGRLMNA

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-5401746-A FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND HMG-COA REDUCTASE BAYER AKTIENGESELLSCHAFT (DE) 1995-03-28 US disclosed
US-5169857-A Anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1992-12-08 US disclosed
US-5006530-A Certain 7-[2,6-diisopropyl-4-phenyl-5-lower alkoxymethyl-pyrid-3-yl]-3,5-dihydroxy-6-enoates and derivatives useful for treating circulatory diseases BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed