SCHEMBL7087074

SCHEMBL7087074

CCC1(COC(=O)/C=C/C(=O)OCC2(CC)COC2)COC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
HCAR2 Q8TDS4 5/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSK P43235 4/20 0.36
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MDM2 Q00987 1/20 0.30
EPHX1 P07099 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
SCHEMBL7538126 0.91 TSHR (0.41) TSHRHCAR2ATMMEN1KMT2A
SCHEMBL384901 0.86 TSHR (0.42) TSHRMEN1KMT2ACTSKPOLB
SCHEMBL1813100 0.82 TSHR (0.47) TSHRMEN1KMT2ACTSKPOLB
SCHEMBL1813102 0.81 TSHR (0.46) TSHRMEN1KMT2ACTSKPOLB
SCHEMBL3462874 0.81 TSHR (0.46) TSHRMEN1KMT2ACTSKPOLB
SCHEMBL275851 0.80 TSHR (0.40) TSHRMEN1KMT2ACTSKHSD17B10
SCHEMBL12904846 0.80 TSHR (0.40) TSHRMEN1KMT2ACTSKPOLB
SCHEMBL12263773 0.79 TSHR (0.48) TSHRMEN1KMT2ACTSKPOLB
SCHEMBL16244087 0.79 TSHR (0.45) TSHRMEN1KMT2ACTSKPOLB
SCHEMBL3462896 0.79 TSHR (0.45) TSHRMEN1KMT2ACTSKPOLB

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-0867443-B1 Hydrolyzable and polymerizable oxetanesilanes IVOCLAR VIVADENT AG (LI) 2003-08-06 EP disclosed
EP-0867443-A2 Hydrolyzable and polymerizable oxetanesilanes IVOCLAR AG (LI) 1998-09-30 EP disclosed