SCHEMBL6990972

SCHEMBL6990972

COC(=O)C(=O)c1c(CCO)[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.48
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
ALOX5 P09917 2/20 0.43
OXER1 Q8TDS5 1/20 0.43
POLB P06746 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
EGFR P00533 2/20 0.41
SRC P12931 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL13344651 0.91 NR4A2 (0.45) NR4A2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6984696 0.79 TRPM8 (0.47) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL4561758 0.78 NR4A2 (0.71) NR4A2ALDH1A1KMT2AMEN1HSD17B10
SCHEMBL12758944 0.77 NR4A2 (0.38) NR4A2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL14367890 0.77 ALDH1A1 (0.59) ALDH1A1POLB
SCHEMBL14440308 0.77 NR4A2 (0.53) NR4A2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL8352535 0.77 NR4A2 (0.72) NR4A2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL5972910 0.75 EGFR (0.63) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL13794397 0.75 NR4A2 (0.44) NR4A2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL7474876 0.74 NR4A2 (0.61) NR4A2ALDH1A1KDM4EKMT2AMEN1

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
EP-1283836-A2 NEUROPROTECTIVE AND ANTI-PROLIFERATIVE COMPOUNDS Aegera Therapeutics Inc. (CA) 2003-02-19 EP disclosed
WO-2001087887-A2 NEUROPROTECTIVE AND ANTI-PROLIFERATIVE COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2001-11-22 WO disclosed