SCHEMBL8327013

SCHEMBL8327013

COC(=O)C(Sc1ccccc1OC)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
POLB P06746 1/20 0.46
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 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
SCHEMBL7374111 0.85 TUBB4A (0.50) MTNR1AMTNR1BPOLBTSHRHSD17B10
SCHEMBL6961103 0.84 KMT2A (0.50) MTNR1AMTNR1BPOLBTSHRSMN1; SMN2
SCHEMBL20448478 0.79 IDO1 (0.44) POLBSMN1; SMN2KMT2AHTTMEN1
SCHEMBL28338828 0.77 KMT2A (0.50) MTNR1AMTNR1BPOLBTSHRSMN1; SMN2
SCHEMBL7617760 0.76 POLB (0.47) MTNR1AMTNR1BPOLBTSHRSMN1; SMN2
SCHEMBL20499480 0.74 ALDH1A1 (0.57) POLBSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2069250 0.74 MTNR1A (0.54) MTNR1AMTNR1BPOLBTSHRSMN1; SMN2
SCHEMBL2069756 0.74 MTNR1A (0.54) MTNR1AMTNR1BPOLBTSHRSMN1; SMN2
SCHEMBL5962399 0.74 CA1 (0.50) MTNR1AMTNR1BPOLBTSHRKMT2A
SCHEMBL2069759 0.73 KMT2A (0.50) MTNR1AMTNR1BPOLBTSHRSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP disclosed