SCHEMBL9401239

SCHEMBL9401239

COc1cc(OC)nc(SC(C=O)C2CCC2)n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5 P09917 4/20 0.32
PPARG P37231 3/20 0.32
PTGES O14684 2/20 0.32
PTGS2 P35354 1/20 0.32
PSEN1 P49768 1/20 0.32
ALDH1A1 P00352 2/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
CYP1A2 P05177 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
SCHEMBL9401260 0.97 ALOX5 (0.34) LMNASMN1; SMN2ALOX5PPARGPTGES
SCHEMBL9384072 0.96 ALDH1A1 (0.36) LMNASMN1; SMN2ALOX5PPARGPTGES
SCHEMBL9401395 0.94 LMNA (0.34) LMNASMN1; SMN2ALOX5PPARGPTGES
SCHEMBL9401261 0.84 TAS1R3 (0.33) ALOX5PPARGCYP1A2
SCHEMBL9401314 0.84
SCHEMBL9401456 0.81 ALOX5 (0.33) LMNASMN1; SMN2ALOX5PPARGPTGES
SCHEMBL9401557 0.80 ALDH1A1 (0.34) LMNASMN1; SMN2ALOX5PPARGPTGES
SCHEMBL9385359 0.79 ALOX5 (0.32) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9385355 0.79 ALOX5 (0.32) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9401185 0.76 LMNA (0.32) LMNASMN1; SMN2ALOX5PPARGPTGES

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5346880-A Pre- and postemergence NIHON BAYER AGROCHEM K.K. (JP) 1994-09-13 US disclosed
EP-0565951-A1 Herbicidally active pyrimidinylthioalkane derivatives NIHON BAYER AGROCHEM K.K. (JP) 1993-10-20 EP disclosed