SCHEMBL5305861

SCHEMBL5305861

CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MLNR O43193 1/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ NR3C1 P04150 1/20 0.45
▸ PGR P06401 1/20 0.45
▸ ADRB2 P07550 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ GABRA1 P14867 1/20 0.45
▸ ALOX15 P16050 1/20 0.45

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
SCHEMBL5305864 0.84 PARP1 (0.44) HPGDHSD17B10TP53KDM4EMEN1
SCHEMBL1378229 0.78 HPGD (0.38) HPGDHSD17B10TP53KDM4EMEN1
SCHEMBL1378233 0.78 ALDH1A1 (0.45) HPGDKDM4EMEN1KMT2AALDH1A1
SCHEMBL6878640 0.78 HTR1A (0.41) HPGDHSD17B10TP53KDM4EMEN1
SCHEMBL8294487 0.74 KDM4E (0.61) HPGDHSD17B10TP53KDM4EMEN1
SCHEMBL25920617 0.72 LMNA (0.56) TP53MEN1CHRM2CHRM3KMT2A
SCHEMBL536590 0.70 KDM4E (0.46) HPGDHSD17B10KDM4EMEN1KMT2A
Potassium SCHEMBL29729324 0.69 KDM4E (0.45) HPGDHSD17B10KDM4EMEN1KMT2A
SCHEMBL25913609 0.69 SCN1A (0.48) HPGDMEN1KMT2AALDH1A1LMNA
SCHEMBL24848168 0.68 MEN1 (0.46) TP53MEN1KMT2AALDH1A1LMNA

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
WO-2007028524-A2 USE OF A DERIVATIVE OF IMIDAZOLE FOR THE TREATMENT OF LEUKOTRIENE RELATED DISORDERS PROUS INSTITUTE FOR BIOMEDICAL RESEARCH S.A. (ES) 2007-03-15 — — WO claimed
WO-2007028524-A2 USE OF A DERIVATIVE OF IMIDAZOLE FOR THE TREATMENT OF LEUKOTRIENE RELATED DISORDERS PROUS INSTITUTE FOR BIOMEDICAL RESEARCH S.A. (ES) 2007-03-15 — — WO disclosed
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