SCHEMBL8070198

SCHEMBL8070198

COC1CCOc2c(SC)cc(C(=O)c3cnoc3C3CC3)c(Cl)c21

nearest known ligand 0.33

Predicted protein targets (top 10)

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
TSHR P16473 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
SCHEMBL8071874 0.74 TSHR (0.32) TSHR
SCHEMBL8070195 0.74 PDE2A (0.31)
SCHEMBL8061382 0.74 ALDH1A1 (0.31) ALDH1A1HPGDCASP3RAB9ASMN1; SMN2
SCHEMBL9069997 0.72 RAB9A (0.36) ALDH1A1HPGDCASP3RAB9ASMN1; SMN2
SCHEMBL8492364 0.71 HPGD (0.37) ALDH1A1HPGDCASP3RAB9ASMN1; SMN2
SCHEMBL9114737 0.71 TUBB4A (0.35) ALDH1A1HPGDCASP3RAB9ASMN1; SMN2
SCHEMBL9070501 0.70 TUBB4A (0.36)
SCHEMBL8494708 0.70 HPGD (0.46) ALDH1A1HPGDCASP3RAB9ASMN1; SMN2
SCHEMBL8491166 0.69 TUBB4A (0.34) ALDH1A1HPGDCASP3RAB9ASMN1; SMN2
SCHEMBL8492343 0.69 PDE4B (0.39) ALDH1A1HPGDRAB9ASMN1; 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-6037312-A HERBICIDES IDEMITSU KOSAN CO., LTD. (JP) 2000-03-14 US disclosed