SCHEMBL7530899

SCHEMBL7530899

COC(=O)CCc1cc(Cc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(OC)c(Cc6cc(OC)c(Cc7cc(OC)c(Cc8cc(O)c(I)cc8CCC(=O)OC)cc7CCC(=O)OC)cc6CCC(=O)OC)cc5CCC(=O)OC)cc4CCC(=O)OC)cc3CCC(=O)OC)cc2CCC(=O)OC)c(OC)cc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
TRPV1 Q8NER1 3/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HMGCR P04035 1/20 0.32
PDE4D Q08499 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL7532277 1.00 MTNR1A (0.38) MTNR1AMTNR1BTRPV1MEN1ALDH1A1
SCHEMBL7534945 1.00 MTNR1A (0.38) MTNR1AMTNR1BTRPV1MEN1ALDH1A1
SCHEMBL7530080 0.93 MTNR1A (0.39) MTNR1AMTNR1BTRPV1MEN1ALDH1A1
SCHEMBL7533095 0.93 MTNR1A (0.39) MTNR1AMTNR1BTRPV1MEN1ALDH1A1
SCHEMBL7536742 0.93 MTNR1A (0.39) MTNR1AMTNR1BTRPV1MEN1ALDH1A1
SCHEMBL7532530 0.90 BACE1 (0.36) MTNR1AMTNR1BALDH1A1BACE1
SCHEMBL7535899 0.90 MTNR1A (0.37) MTNR1AMTNR1BPDE4D
SCHEMBL7530400 0.87 MTNR1A (0.36) MTNR1AMTNR1BTRPV1MEN1ALDH1A1
SCHEMBL7531040 0.86 HMGCR (0.38) MTNR1AMTNR1BTRPV1MEN1ALDH1A1
SCHEMBL9540619 0.81 ELANE (0.39) MTNR1AMTNR1BTRPV1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0585371-B1 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE POULENC RORER INTERNAT H (US) 2002-04-17 EP disclosed
US-5571506-A AROMATIC ALDEHYDE OLIGOMERS FOR TREATMENT OF CARDIOVASCULAR DISORDERS, BONE METABOLISM, ANTILIPEMIC AGENTS AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-11-05 US disclosed