SCHEMBL8076894

SCHEMBL8076894

CC1=C(n2ccccc2=O)c2cc(C(=O)O)ccc2OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.36
POLB P06746 4/20 0.36
TTR P02766 1/20 0.36
PTPRC P08575 2/20 0.35
MEN1 O00255 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
RECQL P46063 2/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
APEX1 P27695 1/20 0.35
ALOX5 P09917 1/20 0.34
CTDSP1 Q9GZU7 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 2/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL8088434 0.91 S100A4 (0.37) POLBALDH1A1MAPTL3MBTL1TDP1
SCHEMBL8077107 0.90 F10 (0.39) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8084217 0.88 ALOX5 (0.40) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL8084622 0.87 F10 (0.33) ALDH1A1KDM4EF10
SCHEMBL8090664 0.86 MAPT (0.46) KMT2AMEN1ALDH1A1MAPTRECQL
SCHEMBL10521128 0.84 KDM4E (0.36) ALDH1A1KDM4EHPGDHSD17B10F10
SCHEMBL8085373 0.82 HSD11B1 (0.33) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL8090596 0.82 F10 (0.34) F10
SCHEMBL8090582 0.82 CNR2 (0.35) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL8084222 0.81 ALDH1A1 (0.41) KMT2APOLBMEN1ALDH1A1MAPT

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
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
US-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed