SCHEMBL8311110

SCHEMBL8311110

CSc1ccc(C(=O)c2cnoc2C2CC2)c2c1SCCO2

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
SCHEMBL8307248 0.92 ALDH1A1 (0.33) ALDH1A1HPGDCASP3RAB9ASMN1; SMN2
SCHEMBL8306877 0.84 DHODH (0.35) DHODH
SCHEMBL8310776 0.84 DHODH (0.33) DHODH
SCHEMBL8309488 0.84 DHODH (0.33) DHODH
SCHEMBL8310666 0.83 PDE2A (0.31) DHODHPDE2A
SCHEMBL8307169 0.82 PDE2A (0.33) DHODHPDE2A
SCHEMBL8312009 0.80 DHODH (0.33) DHODH
SCHEMBL8308304 0.80 DHODH (0.35) DHODH
SCHEMBL8310670 0.80 DHODH (0.33) DHODH
SCHEMBL8307209 0.80 HSD17B10 (0.39) ALDH1A1HPGDRAB9ASMN1; SMN2DHODH

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