SCHEMBL9401557

SCHEMBL9401557

COc1cc(OC)nc(SC(C=O)C(C)C2CCCCC2)n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
ALOX5 P09917 3/20 0.34
PPARG P37231 2/20 0.34
PTGES O14684 1/20 0.34
PTGS2 P35354 1/20 0.34
PSEN1 P49768 1/20 0.34
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADRB2 P07550 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9401456 0.99 ALOX5 (0.33) ALDH1A1ALOX5PPARGPTGESPTGS2
SCHEMBL9401185 0.95 LMNA (0.32) ALDH1A1ALOX5PPARGPTGESPTGS2
SCHEMBL9384072 0.84 ALDH1A1 (0.36) ALDH1A1ALOX5PPARGPTGESPTGS2
SCHEMBL9401260 0.82 ALOX5 (0.34) ALDH1A1ALOX5PPARGPTGESPTGS2
SCHEMBL9383520 0.80 LMNA (0.37) ALDH1A1LMNASMN1; SMN2
SCHEMBL9401239 0.80 LMNA (0.33) ALDH1A1ALOX5PPARGPTGESPTGS2
SCHEMBL9401319 0.77 ALOX5 (0.35) ALDH1A1ALOX5PPARGPTGESPTGS2
SCHEMBL9385727 0.76 ALOX5 (0.41) ALDH1A1ALOX5PPARGPTGESPTGS2
SCHEMBL9401355 0.76 ALDH1A1 (0.37) ALDH1A1ALOX5PPARGPTGESPTGS2
SCHEMBL9401395 0.76 LMNA (0.34) ALDH1A1ALOX5PPARGPTGESPTGS2

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