SCHEMBL8530400

SCHEMBL8530400

O=C(NC[CH]c1ccccc1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTT P42858 1/20 0.55
TGM2 P21980 1/20 0.52
POLB P06746 1/20 0.51
MIF P14174 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
PLAU P00749 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL6253000 0.84 LMNA (0.63) LMNASMN1; SMN2HTTTGM2MIF
SCHEMBL867055 0.83 LMNA (0.61) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL3826463 0.82 LMNA (0.59) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL195242 0.82 TGM2 (0.61) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL7657748 0.82 LMNA (0.59) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL17244018 0.82 LMNA (0.59) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL28661503 0.81 SMN1; SMN2 (0.58) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL19358564 0.79 LMNA (0.56) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL15216787 0.79 SMN1; SMN2 (0.56) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL21620361 0.79 LMNA (0.56) LMNASMN1; SMN2HTTTGM2POLB

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-5807875-A OBESITY THERAPY DR. KARL THOMAE GMBH (DE) 1998-09-15 US disclosed