SCHEMBL9844659

SCHEMBL9844659

CC(=O)OC/C=C(\C)CCCBr

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
ALOX15 P16050 1/20 0.59
PTPN1 P18031 1/20 0.57
TRPV1 Q8NER1 2/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PGGT1B P53609 1/20 0.36
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5150357 0.82 ALDH1A1 (0.61) ALDH1A1ALOX15PTPN1TRPV1FNTA
SCHEMBL10929669 0.82 ALDH1A1 (0.61) ALDH1A1ALOX15PTPN1TRPV1FNTA
SCHEMBL10929662 0.82 ALDH1A1 (0.61) ALDH1A1ALOX15PTPN1TRPV1FNTA
SCHEMBL9844658 0.82 ALDH1A1 (0.61) ALDH1A1ALOX15PTPN1TRPV1FNTA
SCHEMBL5150363 0.82 ALDH1A1 (0.61) ALDH1A1ALOX15PTPN1TRPV1FNTA
SCHEMBL23668542 0.81 ALDH1A1 (0.59) ALDH1A1ALOX15PTPN1TRPV1FNTA
SCHEMBL28502149 0.81 ALDH1A1 (0.59) ALDH1A1ALOX15PTPN1TRPV1FNTA
SCHEMBL3055807 0.79 ALDH1A1 (0.57) ALDH1A1ALOX15PTPN1TRPV1FNTA
SCHEMBL3055805 0.79 ALDH1A1 (0.57) ALDH1A1ALOX15PTPN1TRPV1FNTA
SCHEMBL5245886 0.79 ALDH1A1 (0.57) ALDH1A1ALOX15PTPN1TRPV1FNTA

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-0410244-A1 Leukotriene antagonists BAYER AG (DE) 1991-01-30 EP disclosed