SCHEMBL14905941

SCHEMBL14905941

NCCOP(=O)(O)OCC1CO1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ENPP2 Q13822 6/20 0.35
LPAR2 Q9HBW0 3/20 0.35
ITPR3 Q14573 1/20 0.34
ITPR1 Q14643 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL1617220 0.86 ENPP2 (0.41) TSHRENPP2LPAR2ALDH1A1TP53
SCHEMBL28006286 0.81 ENPP2 (0.44) TSHRENPP2LPAR2ALDH1A1SMN1; SMN2
SCHEMBL11408483 0.79 PLA2G2C (0.41) TSHRITPR3ITPR1ALDH1A1CYP3A4
SCHEMBL28006288 0.79 SMN1; SMN2 (0.55) TSHRENPP2LPAR2ALDH1A1CYP3A4
SCHEMBL17488878 0.78 ENPP2 (0.40) TSHRENPP2LPAR2ALDH1A1TP53
SCHEMBL28208986 0.77 FABP3 (0.37) TSHRENPP2LPAR2ALDH1A1SMN1; SMN2
SCHEMBL27651923 0.76 ALDH1A1 (0.38) TSHRENPP2LPAR2ALDH1A1TP53
Ether SCHEMBL20767714 0.76 ENPP2 (0.42) TSHRENPP2LPAR2ALDH1A1TP53
SCHEMBL1987367 0.73
SCHEMBL27736092 0.73 ALDH1A1 (0.53) TSHRENPP2LPAR2ALDH1A1TP53

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
US-20130110408-A1 METHODS FOR THE DIAGNOSIS OF DEMENTIA AND OTHER NEUROLOGICAL DISORDERS PHENOMENOME DISCOVERIES INC. (CA) 2013-05-02 US disclosed