SCHEMBL7809964

SCHEMBL7809964

CC(=O)c1ccc2c(c1C)OCCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 4/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 3/20 0.48
HTT P42858 1/20 0.48
ALOX15 P16050 1/20 0.42
MTNR1A P48039 2/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ADRA2A P08913 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA1D P25100 2/20 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
SCHEMBL2427488 0.86 KDM4E (0.55) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL6341931 0.86 AOC3 (0.43) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL17424960 0.84 KDM4E (0.47) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL668947 0.84 KDM4E (0.47) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL4714549 0.82 KDM4E (0.53) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL20563025 0.81 KDM4E (0.50) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL17424932 0.81 BAZ2B (0.49) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL23112391 0.81 KDM4E (0.51) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL8477532 0.81 KDM4E (0.51) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL668435 0.80 KDM4E (0.43) KDM4EALDH1A1HSD17B10HPGDHTT

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-0741709-B1 AROMATIC 2-AMINO-IMIDAZOLE DERIVATIVES AS ALPHA-2A ADRENOCEPTOR AGONISTS ALLERGAN SALES INC (US) 2001-07-25 EP disclosed
EP-0741709-A1 AROMATIC 2-AMINO-IMIDAZOLE DERIVATIVES AS ALPHA-2A ADRENOCEPTOR AGONISTS Allergan (US) 1996-11-13 EP disclosed
WO-1995019968-A1 AROMATIC 2-AMINO-IMIDAZOLE DERIVATIVES AS ALPHA-2A ADRENOCEPTOR AGONISTS ALLERGAN (US) 1995-07-27 WO disclosed