SCHEMBL7797302

SCHEMBL7797302

CC=CC(=O)OCCCOC(=O)C12CC3(C)CC(C)(C1)CC(C(=O)OCCCOC(=O)C=CC)(C3)C2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
ATM Q13315 1/20 0.39
HCAR2 Q8TDS4 4/20 0.35
PKM P14618 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
PLA2G1B P04054 1/20 0.33
KMT2A Q03164 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
GSTP1 P09211 1/20 0.31
RAB9A P51151 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL7801830 0.80 SMN1; SMN2 (0.41) SMN1; SMN2PKMTSHRHSD17B10GSTP1
SCHEMBL7791067 0.80 SMN1; SMN2 (0.41) SMN1; SMN2PKMTSHRHSD17B10GSTP1
SCHEMBL7799315 0.80 NPSR1 (0.55) SMN1; SMN2ATMMAPTMEN1KMT2A
SCHEMBL20913247 0.77 ATM (0.60) ATMHCAR2MAPTTSHRNPSR1
SCHEMBL20394541 0.75 ATM (0.64) ATMHCAR2MAPTTSHRNPSR1
SCHEMBL7797298 0.75 SMN1; SMN2 (0.51) SMN1; SMN2PKMMAPTMEN1PLA2G1B
SCHEMBL7125108 0.73 ATM (0.36) ATMHCAR2
SCHEMBL8669692 0.73 ATM (0.60) SMN1; SMN2ATMHCAR2MAPTTSHR
SCHEMBL20875236 0.73 ATM (0.60) SMN1; SMN2ATMHCAR2MAPTTSHR
SCHEMBL17530066 0.72 SMN1; SMN2 (0.46) SMN1; SMN2PKMMAPTMEN1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1164125-A1 ADAMANTANE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Daicel Chemical Industries, Ltd. (JP) 2001-12-19 EP disclosed