SCHEMBL8307248

SCHEMBL8307248

CSc1ccc(C(=O)c2cnoc2C2CC2)c2c1OCCS2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
DHODH Q02127 3/20 0.31
PDE2A O00408 1/20 0.30

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
SCHEMBL8311110 0.92 ALDH1A1 (0.33) ALDH1A1HPGDCASP3RAB9ASMN1; SMN2
SCHEMBL8307169 0.86 PDE2A (0.33) DHODHPDE2A
SCHEMBL8310670 0.84 DHODH (0.33) DHODH
SCHEMBL8308304 0.84 DHODH (0.35) DHODH
SCHEMBL8312009 0.84 DHODH (0.33) DHODH
SCHEMBL8307209 0.84 HSD17B10 (0.39) ALDH1A1HPGDRAB9ASMN1; SMN2DHODH
SCHEMBL8307273 0.83 DHODH (0.31) DHODH
SCHEMBL8306877 0.80 DHODH (0.35) DHODH
SCHEMBL8310776 0.80 DHODH (0.33) DHODH
SCHEMBL8309488 0.80 DHODH (0.33) DHODH

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