SCHEMBL8612915

SCHEMBL8612915

COC(=O)OC1(C)CCc2ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.34
TACR3 P29371 2/20 0.33
TACR1 P25103 1/20 0.33
PIN1 Q13526 3/20 0.33
POLA1 P09884 2/20 0.33
PPARG P37231 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
FFAR1 O14842 1/20 0.32
KIF11 P52732 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MMP1 P03956 1/20 0.31

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
SCHEMBL8615164 0.77 BACE1 (0.32) SIGMAR1
SCHEMBL8620702 0.77 CYP2C9 (0.34) ABL1MTNR1AMTNR1BFFAR1SIGMAR1
SCHEMBL8617783 0.74 MTNR1A (0.39) MTNR1AMTNR1B
SCHEMBL8589639 0.73 BACE1 (0.30)
SCHEMBL8589641 0.73 BACE1 (0.30)
SCHEMBL8647745 0.73 MAPK1 (0.39) MTNR1AMTNR1BFFAR1
SCHEMBL8636783 0.73 SIGMAR1 (0.39) SIGMAR1
SCHEMBL8586713 0.72 SIGMAR1 (0.31) SIGMAR1
SCHEMBL8586706 0.72 SIGMAR1 (0.31) SIGMAR1
SCHEMBL13424190 0.72 TSHR (0.32) ABL1POLA1PPARGSMN1; SMN2SIGMAR1

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
WO-1998052913-A2 LEUKOTRIENE B4 ANTAGONISTS, IN PARTICULAR 3-OXA-TETRAHYDRONAPHTHALENE-LTB4 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-11-26 WO disclosed