SCHEMBL8539259

SCHEMBL8539259

CCOS(=O)(=S)c1ccc(C)cc1-c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH3 Q96Q83 2/20 0.44
MAOB P27338 1/20 0.40
SYK P43405 1/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM2 Q14416 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
CASP3 P42574 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL8536322 0.86 MAOB (0.44) ALKBH3MAOBLMNAALDH1A1HPGD
SCHEMBL28530317 0.80 ALKBH3 (0.52) ALKBH3MAOBSYKLMNAALDH1A1
SCHEMBL10372894 0.77 ALKBH3 (0.50) ALKBH3MAOBSYKLMNAALDH1A1
SCHEMBL8537635 0.72 MAOB (0.47) ALKBH3MAOBLMNAALDH1A1HPGD
SCHEMBL8538998 0.72 GSTP1 (0.51) MAOBHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL28906223 0.71 ACHE (0.37) ALKBH3MAOBLMNAALDH1A1HPGD
SCHEMBL28528548 0.71 CA1 (0.35) LMNAALDH1A1HPGDMAPTKDM4E
SCHEMBL29233386 0.69 ACHE (0.50) ALKBH3MAOBSYKLMNAALDH1A1
SCHEMBL8539308 0.68 TDP1 (0.49) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL13932512 0.68 ACHE (0.54) ALKBH3MAOBSYKLMNAALDH1A1

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-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed