SCHEMBL9401241

SCHEMBL9401241

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 4/20 0.31
PPARG P37231 3/20 0.31
PTGES O14684 2/20 0.31
ADORA3 P0DMS8 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
SCHEMBL9401328 0.87 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2ALOX5PPARG
SCHEMBL9401222 0.86 AR (0.36) ALDH1A1LMNASMN1; SMN2ALOX5PPARG
SCHEMBL9387574 0.84 LMNA (0.36) ALDH1A1LMNASMN1; SMN2
SCHEMBL9401415 0.83 ALOX5 (0.38) ALOX5PPARGPTGESADORA3
SCHEMBL9401233 0.82 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2ALOX5PPARG
SCHEMBL9401536 0.82 ALOX5 (0.37) ALOX5PPARGPTGESADORA3
SCHEMBL9401251 0.80 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2ALOX5PPARG
SCHEMBL9401225 0.79 ALOX5 (0.45) ALOX5PPARGPTGES
SCHEMBL9572244 0.77 DDB1 (0.33) ALDH1A1LMNASMN1; SMN2ALOX5PPARG
SCHEMBL9401496 0.76 ALDH1A1 (0.34) ALDH1A1ALOX5PPARGPTGESADORA3

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