SCHEMBL5459500

SCHEMBL5459500

NCCOP(=O)(OCc1ccccc1)OP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
CETP P11597 3/20 0.42
PDPK1 O15530 2/20 0.42
MTOR P42345 1/20 0.42
BTN3A1 O00481 1/20 0.41
SRC P12931 1/20 0.40
ALPG P10696 1/20 0.39
PTK2B Q14289 1/20 0.39
FOLH1 Q04609 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL10408383 0.89 TSHR (0.66) TSHRCETPPDPK1MTORBTN3A1
SCHEMBL18822906 0.87 TSHR (0.53) TSHRCETPNPC1RAB9A
SCHEMBL28555680 0.85 TSHR (0.61) TSHRCETPPDPK1MTORBTN3A1
SCHEMBL11149588 0.82 CETP (0.57) TSHRCETP
SCHEMBL4338628 0.80 TSHR (0.62) TSHRCETPPDPK1MTORBTN3A1
SCHEMBL79996 0.78 TSHR (0.63) TSHRCETPPDPK1MTORSRC
SCHEMBL9939654 0.78 TSHR (0.50) TSHRCETPPOLB
SCHEMBL6749263 0.77 TSHR (0.75) TSHRCETPPDPK1MTORBTN3A1
Monoethanolamine SCHEMBL5459494 0.77 TSHR (0.64) TSHRCETPPDPK1MTORBTN3A1
SCHEMBL21049922 0.76 TSHR (0.53) TSHRCETPPDPK1MTORBTN3A1

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
US-20070210476-A1 Machinable Resin Molded Product, Material For Forming The Same, And Model Made Of The Same SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2007-09-13 US disclosed
EP-1728832-A1 MOLDING OF RESIN FOR CUTTING OPERATION, MATERIAL FOR FORMATION THEREOF AND MODEL Sanyo Chemical Industries, Ltd. (JP) 2006-12-06 EP disclosed