SCHEMBL9832196

SCHEMBL9832196

CC(=O)N(O)CCc1ccc(-c2ccccc2)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
MAPT P10636 4/20 0.59
PKM P14618 4/20 0.59
HSD17B10 Q99714 2/20 0.59
HTT P42858 2/20 0.59
POLB P06746 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALOX5 P09917 3/20 0.57
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
CYP2C19 P33261 2/20 0.48
TSHR P16473 1/20 0.48
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
DDAH1 O94760 1/20 0.48
CYP1A2 P05177 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL9833394 0.85 ALOX5 (0.74) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL9832972 0.85 ALDH1A1 (0.55) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL9831303 0.81 ALDH1A1 (0.54) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL2466643 0.74 ALDH1A1 (1.00) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL8806200 0.73 ALOX5 (1.00) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL8807104 0.72 ALOX5 (0.68) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL13543173 0.72 ALDH1A1 (0.61) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL12766564 0.72 ALOX5 (0.61) ALDH1A1TDP1ALOX5KMT2A
SCHEMBL14654432 0.72 ALDH1A1 (0.76) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL7416084 0.71 ALDH1A1 (0.49) ALDH1A1MAPTPKMHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388429-A4 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS 1991-08-21 EP disclosed
EP-0388429-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-09-26 EP disclosed
WO-1989004299-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1989-05-18 WO disclosed