SCHEMBL8426331

SCHEMBL8426331

c1ccc(Oc2ccc(SC3CCCCC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.50
MAOB P27338 4/20 0.50
MAPT P10636 5/20 0.43
ALOX12 P18054 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
EPHX1 P07099 1/20 0.43
TP53 P04637 1/20 0.43
LTA4H P09960 6/20 0.43
TSHR P16473 1/20 0.43
VCP P55072 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
KDM1A O60341 1/20 0.40
NR1H2 P55055 1/20 0.39
BAX Q07812 1/20 0.39

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
SCHEMBL8425287 0.98 MAOA (0.47) MAOAMAOBMAPTALOX12LMNA
SCHEMBL8428052 0.83 PARP14 (0.43) MAOALMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL8423914 0.83 SLC6A2 (0.47) LTA4HTSHRKDM1A
SCHEMBL576211 0.82 MAOA (0.57) MAOAMAOBMAPTALOX12LMNA
SCHEMBL15270965 0.82 MAOA (0.57) MAOAMAOBMAPTALOX12LMNA
SCHEMBL576029 0.80 MAOA (0.53) MAOAMAOBMAPTALOX12LMNA
SCHEMBL13844911 0.79 MAOA (0.55) MAOAMAOBMAPTALOX12ALDH1A1
SCHEMBL16727308 0.79 MAOA (0.55) MAOAMAOBMAPTALOX12LMNA
SCHEMBL1496767 0.79 MMP2 (0.43) MAPTALOX12LMNAHTTSMN1; SMN2
SCHEMBL23295277 0.78 MAOA (0.65) MAOAMAOBMAPTALOX12SMN1; 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
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed