SCHEMBL7496231

SCHEMBL7496231

NCc1ccc(CCC(=O)O)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
MAPT P10636 5/20 0.56
PKM P14618 4/20 0.56
HSD17B10 Q99714 3/20 0.56
HTT P42858 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
POLB P06746 1/20 0.56
KDM4E B2RXH2 5/20 0.51
HPGD P15428 4/20 0.51
CYP2C19 P33261 3/20 0.51
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GFER P55789 1/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
DDAH1 O94760 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL17491872 0.89 ALDH1A1 (0.66) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL17537986 0.82 ALDH1A1 (0.58) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL17537541 0.82 ALDH1A1 (0.58) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL9116093 0.80 ALDH1A1 (0.56) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL6480225 0.80 ALDH1A1 (0.56) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL4677662 0.80 ALDH1A1 (0.56) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL13359173 0.79 CYP2E1 (0.44) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL17537935 0.78 ALDH1A1 (0.54) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL17537940 0.77 EPHX2 (0.58) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL8342486 0.76 ALDH1A1 (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734386-B1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LAB (US) 2002-02-06 EP disclosed
EP-0734386-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES Abbott Laboratories (US) 1996-10-02 EP disclosed
US-5486525-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-23 US disclosed
WO-1995016687-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LABORATORIES (US) 1995-06-22 WO disclosed