SCHEMBL8307209

SCHEMBL8307209

COc1ccc(C(=O)c2cnoc2C2CC2)c2c1OCCS2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
STAT3 P40763 2/20 0.33
DHODH Q02127 3/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4D Q08499 4/20 0.32
PDE2A O00408 1/20 0.32
PDE4B Q07343 1/20 0.32
STAT1 P42224 1/20 0.31
MEN1 O00255 1/20 0.31
TTR P02766 1/20 0.31
KMT2A Q03164 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31

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
SCHEMBL8307169 0.86 PDE2A (0.33) DHODHPDE2A
SCHEMBL8312009 0.86 DHODH (0.33) DHODHSTAT1
SCHEMBL8308304 0.84 DHODH (0.35) DHODH
SCHEMBL8310670 0.84 DHODH (0.33) DHODHMEN1KMT2A
SCHEMBL8307248 0.84 ALDH1A1 (0.33) ALDH1A1DHODHRAB9ASMN1; SMN2PDE2A
SCHEMBL8307273 0.83 DHODH (0.31) DHODH
SCHEMBL8306877 0.80 DHODH (0.35) DHODH
SCHEMBL8309488 0.80 DHODH (0.33) DHODHMEN1KMT2A
SCHEMBL8310776 0.80 DHODH (0.33) DHODH
SCHEMBL8311110 0.80 ALDH1A1 (0.33) ALDH1A1DHODHRAB9ASMN1; SMN2PDE2A

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-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed