SCHEMBL7791067

SCHEMBL7791067

CC=CC(=O)OCC(C)COC(=O)C12CC3(C)CC(C)(C1)CC(C(=O)OCC(C)COC(=O)C=CC)(C3)C2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GSTP1 P09211 1/20 0.30
DHCR24 Q15392 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
SCHEMBL7797408 0.81 NPSR1 (0.46) SMN1; SMN2PKMTSHR
SCHEMBL7797302 0.80 SMN1; SMN2 (0.50) SMN1; SMN2RAB9APKMTSHRHSD17B10
SCHEMBL7801830 0.78 SMN1; SMN2 (0.41) SMN1; SMN2PKMTSHRHSD17B10GSTP1
SCHEMBL7791065 0.76 TSHR (0.47) SMN1; SMN2RAB9APKMTSHRHSD17B10
SCHEMBL7125372 0.75
SCHEMBL27293911 0.70 TSHR (0.39) TSHRGSTP1
SCHEMBL11102433 0.68 SMN1; SMN2 (0.56) SMN1; SMN2RAB9APKMTSHRHSD17B10
SCHEMBL182262 0.68 TSHR (0.59) SMN1; SMN2TSHRGSTP1
SCHEMBL1532470 0.68 TSHR (0.59) SMN1; SMN2TSHRGSTP1
SCHEMBL182261 0.68 TSHR (0.59) SMN1; SMN2TSHRGSTP1

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