SCHEMBL9816649

SCHEMBL9816649

CSc1ccccc1OP(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 7/20 0.52
INPP5A Q14642 5/20 0.52
INPP5B P32019 2/20 0.52
SRC P12931 4/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PDE3A Q14432 1/20 0.50
AKT1 P31749 1/20 0.45
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL9816644 0.84 TSHR (0.42) HSD17B10KDM4EHPGDALDH1A1TSHR
SCHEMBL8589535 0.80 TSHR (0.38) INPPL1INPP5AINPP5BSRCHSD17B10
SCHEMBL2573126 0.79 INPPL1 (0.70) INPPL1INPP5AINPP5BSRCHSD17B10
SCHEMBL31117138 0.77 INPPL1 (0.47) INPPL1INPP5AINPP5BSRCHSD17B10
SCHEMBL19808 0.74 INPPL1 (0.57) INPPL1INPP5AINPP5BSRCHSD17B10
SCHEMBL30770359 0.74 INPPL1 (0.57) INPPL1INPP5AINPP5BSRCHSD17B10
SCHEMBL1100136 0.74 INPPL1 (0.57) INPPL1INPP5AINPP5BSRCHSD17B10
SCHEMBL7642520 0.73 HSD17B10 (0.46) INPPL1INPP5AINPP5BSRCHSD17B10
SCHEMBL9645945 0.73 INPPL1 (0.61) INPPL1INPP5AINPP5BSRCHSD17B10
SCHEMBL9351941 0.72 POLB (0.49) HSD17B10KDM4EHPGDTSHRSMN1; SMN2

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-0135714-B1 SUSTAINED RELEASE COMPOSITIONS FOR BIOLOGICALLY ACTIVE MATERIALS MELAMINE CHEMICALS, INC. (US) 1991-11-06 EP disclosed